 Awrejcewicz, J. (Jan)
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1995.
 Description
 Book — 1 online resource (xii, 272 pages 135 illustrations) Digital: text file; PDF.
 Summary

 Quantum Chaos and Ergodic Theory.
 1. Introduction.
 2. Definition of Quantum Chaos.
 3. The Time Scales of Quantum Dynamics.
 4. The Quantum Steady State.
 5. Concluding Remarks. References. On the Complete Characterization of Chaotic Attractors.
 1. Introduction.
 2. Scaling Behavior. 2.1 Scale Invariance. 2.2 Nonunified Approach.
 3. Unified Approach. 3.1 The Generalized Entropy Function. 3.2 Hyperbolic Models with Complete Grammars.
 4. Extensions. 4.1 The Need for Extensions. 4.2 Convergence Properties. 4.3 Nonhyperbolicity and PhaseTransitions. 5 Conclusions. References. New Numerical Methods for High Dimensional Hopf Bifurcation Problems.
 1. Introduction.
 2. Static Bifurcation and PseudoArclength Method.
 3. The Numerical Methods for Hopf Bifurcation.
 4. Examples. References. Catastrophe Theory and the VibroImpact Dynamics of Autonomous Oscillators.
 1. Introduction.
 2. Generalities on VibroImpact Dynamics.
 3. The Geometry of Singularity Subspaces.
 4. Continuity of the Poincare Map of the S/U Oscillator. References. Codimension Two Bifurcation and Its Computational Algorithm.
 1. Introduction.
 2. Bifurcations of Fixed Point. 2.1 The Poincare Map and Property of Fixed Points. 2.2 Codimension One Bifurcations. 2.3 Codimension Two Bifurcations.
 3. Computational Algorithms. 3.1 Derivatives of the Poincare Map. 3.2 Numerical Method of Analysis.
 4. Numerical Examples. 4.1 Circuit Model for Chemical Oscillation at a WaterOil Interface. 4.2 Coupled Oscillator with a Sinusoidal Current Source.
 5. Concluding Remarks. References. Chaos and Its Associated Oscillations in Josephson Circuits.
 1. Introduction.
 2. Model of Josephson Junction.
 3. Chaos in a Forced Oscillation Circuit.
 4. Autonomous Josephson Circuit. 4.1 Introduction. 4.2 Results of Calculation.
 5. Distributed Parameter Circuit.
 6. Conclusion. References. Chaos in Systems with Magnetic Force.
 1. Introduction.
 2. System of Two Conducting Wires. 2.1 Formulation of Dynamical Equations. 2.2 Analytical Procedure. 2.3 Numerical Simulation of Chaos.
 3. MultiEquilibrium Magnetoelastic Systems. 3.1 Theoretical Models. 3.2 Numerical Simulation. 3.3 Experiment.
 4. Magnetic Levitation Systems. 4.1 Formulation of Dynamic Equations. 4.2 Linearization in Terms of Manifolds. 4.3 Numerical Simulation. 4.4 Conclusion. References. Bifurcation and Chaos in the HelmholtzDuffing Oscillator.
 1. Mechanical System and Mathematical Model.
 2. Behaviour Chart and Characterization of Chaotic Response.
 3. Prediction of Local Bifurcations of Regular Solutions.
 4. Geometrical Description of System Response Using AttractorBasin Portraits and Invariant Manifolds.
 5. Conclusions. References. Bifurcations and Chaotic Motions in Resonantly Excited Structures.
 1. Introduction.
 2. Nonlinear Structural Members. 2.1 Strings. 2.2 Beams. 2.3 Cylindrical Shells and Rings. 2.4 Plates.
 3. Resonant Motions of Rectangular Plates with Internal and External Resonances. 3.1 Equations of Motion. 3.2 Averaged Equations. 3.3 SteadyState Constant Solutions. 3.4 Stability Analysis of Constant Solutions. 3.5 Periodic and Chaotic Solutions of Averaged Equations.
 4. Summary and Conclusions. References. NonLinear Behavior of a Rectangular Plate Exposed to Airflow.
 1. Introduction.
 2. Mathematical Model.
 3. Threshold Determination of Periodic Oscillations.
 4. Dynamics Past the Hopf Bifurcation Point.
 5. Summary and Concluding Remarks. References.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Blinder, S. M.
 2nd ed.  London : Elsevier, 2013.
 Description
 Book — 1 online resource (viii, 269 pages :) : illustrations (some color).
 Summary

 1 Mathematical Thinking
 2. Numbers 3 Algebra 4 Trigonometry 5 Analytic Geometry 6 Calculus 7 Series and Integrals 8 Differential Equations 9 Matrix Algebra 10 Multivariable Calculus 11 Vector Analysis 12 Special Functions 13 Complex Variables.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
3. Digital Simulation in Electrochemistry [1988]
 Britz, Dieter.
 Second, rev. and Extended edition.  Berlin, Heidelberg : Springer Berlin Heidelberg, 1988.
 Description
 Book — 1 online resource (x, 232 pages)
 Summary

 From the contents: Basic Equations
 Diffusional Transport  Digitally
 Calculation of Boundary Values
 Advanced Methods
 Accuracy, Efficiency and Choice
 Coupled Homogeneous Chemical Reactions
 Miscellaneous Topics
 Programming and Example Programs.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
4. Fractals and Disordered Systems [1996]
 Bunde, Armin.
 Second rev. and enlarged edition.  Berlin, Heidelberg : Springer Berlin Heidelberg, 1996.
 Description
 Book — 1 online resource (xxii, 408 pages 165 illustrations, 25 illustrations in color.)
 Summary

 1 Fractals and Multifractals: The Interplay of Physics and Geometry (With 30 Figures). 1.1 Introduction. 1.2 Nonrandom Fractals. 1.3 Random Fractals: The Unbiased Random Walk. 1.4 The Concept of a Characteristic Length. 1.5 Functional Equations and Fractal Dimension. 1.6 An Archetype: Diffusion Limited Aggregation. 1.7 DLA: Fractal Properties. 1.8 DLA: Multifractal Properties. 1.8.1 General Considerations. 1.8.2 "Phase Transition" in 2d DLA. 1.8.3 The VoidChannel Model of 2d DLA Growth. 1.8.4 Multifractal Scaling of 3d DLA. 1.9 Scaling Properties of the Perimeter of 2d DLA: The "Glove" Algorithm. 1.9.1 Determination of the l Perimeter. 1.9.2 The l Gloves. 1.9.3 Necks and Lagoons. 1.10 Multiscaling. 1.11 The DLA Skeleton. 1.12 Applications of DLA to Fluid Mechanics. 1.12.1 Archetype 1: The Ising Model and Its Variants. 1.12.2 Archetype 2: Random Percolation and Its Variants. 1.12.3 Archetype 3: The Laplace Equation and Its Variants. 1.13 Applications of DLA to Dendritic Growth. 1.13.1 Fluid Models of Dendritic Growth. 1.13.2 Noise Reduction. 1.13.3 Dendritic Solid Patterns: "Snow Crystals". 1.13.4 Dendritic Solid Patterns: Growth of NH4Br. 1.14 Other Fractal Dimensions. 1.14.1 The Fractal Dimension dw of a Random Walk. 1.14.2 The Fractal Dimension dmin ? 1/?? of the Minimum Path. 1.14.3 Fractal Geometry of the Critical Path: "Volatile Fractals". 1.15 Surfaces and Interfaces. 1.15.1 SelfSimilar Structures. 1.15.2 SelfAffine Structures. 1.A Appendix: Analogies Between Thermodynamics and Multifractal Scaling. References. 2 Percolation I (With 24 Figures). 2.1 Introduction. 2.2 Percolation as a Critical Phenomenon. 2.3 Structural Properties. 2.4 Exact Results. 2.4.1 OneDimensional Systems. 2.4.2 The Cayley Tree. 2.5 Scaling Theory. 2.5.1 Scaling in the Infinite Lattice. 2.5.2 Crossover Phenomena. 2.5.3 FiniteSize Effects. 2.6 Related Percolation Problems. 2.6.1 Epidemics and Forest Fires. 2.6.2 Kinetic Gelation. 2.6.3 Branched Polymers. 2.6.4 Invasion Percolation. 2.6.5 Directed Percolation. 2.7 Numerical Approaches. 2.7.1 HoshenKopelman Method. 2.7.2 Leath Method. 2.7.3 Ziff Method. 2.8 Theoretical Approaches. 2.8.1 Deterministic Fractal Models. 2.8.2 Series Expansion. 2.8.3 SmallCell Renormalization. 2.8.4 Potts Model, Field Theory, and ? Expansion. 2.A Appendix: The Generating Function Method. References. 3 Percolation II (With 20 Figures). 3.1 Introduction. 3.2 Anomalous Transport in Fractals. 3.2.1 Normal Transport in Ordinary Lattices. 3.2.2 Transport in Fractal Substrates. 3.3 Transport in Percolation Clusters. 3.3.1 Diffusion in the Infinite Cluster. 3.3.2 Diffusion in the Percolation System. 3.3.3 Conductivity in the Percolation System. 3.3.4 Transport in TwoComponent Systems. 3.3.5 Elasticity in TwoComponent Systems. 3.4 Fractons. 3.4.1 Elasticity. 3.4.2 Vibrations of the Infinite Cluster. 3.4.3 Vibrations in the Percolation System. 3.4.4 Quantum Percolation. 3.5 ac Transport. 3.5.1 LatticeGas Model. 3.5.2 Equivalent Circuit Model. 3.6 Dynamical Exponents. 3.6.1 Rigorous Bounds. 3.6.2 Numerical Methods. 3.6.3 Series Expansion and Renormalization Methods. 3.6.4 Continuum Percolation. 3.6.5 Summary of Transport Exponents. 3.7 Multifractals. 3.7.1 Voltage Distribution. 3.7.2 Random Walks on Percolation. 3.8 Related Transport Problems. 3.8.1 Biased Diffusion. 3.8.2 Dynamic Percolation. 3.8.3 The Dynamic Structure Model of Ionic Glasses. 3.8.4 Trapping and Diffusion Controlled Reactions. References. 4 Fractal Growth (With 4 Figures). 4.1 Introduction. 4.2 Fractals and Multifractals. 4.3 Growth Models. 4.3.1 Eden Model. 4.3.2 Percolation. 4.3.3 Invasion Percolation. 4.4 Laplacian Growth Model. 4.4.1 Diffusion Limited Aggregation. 4.4.2 Dielectric Breakdown Model. 4.4.3 Viscous Fingering. 4.4.4 Biological Growth Phenomena. 4.5 Aggregation in Percolating Systems. 4.5.1 Computer Simulations. 4.5.2 Viscous Fingers Experiments. 4.5.3 Exact Results on Model Fractals. 4.5.4 Crossover to Homogeneous Behavior. 4.6 Crossover in Dielectric Breakdown with Cutoffs. 4.7 Is Growth Multifractal?. 4.8 Conclusion. References. 5 Fractures (With 18 Figures). 5.1 Introduction. 5.2 Some Basic Notions of Elasticity and Fracture. 5.2.1 Phenomenological Description. 5.2.2 Elastic Equations of Motion. 5.3 Fracture as a Growth Model. 5.3.1 Formulation as a Moving Boundary Condition Problem. 5.3.2 Linear Stability Analysis. 5.4 Modelisation of Fracture on a Lattice. 5.4.1 Lattice Models. 5.4.2 Equations and Their Boundary Conditions. 5.4.3 Connectivity. 5.4.4 The Breaking Rule. 5.4.5 The Breaking of a Bond. 5.4.6 Summary. 5.5 Deterministic Growth of a Fractal Crack. 5.6 Scaling Laws of the Fracture of Heterogeneous Media. 5.7 Hydraulic Fracture. 5.8 Conclusion. References. 6 Transport Across Irregular Interfaces: Fractal Electrodes, Membranes and Catalysts (With 8 Figures). 6.1 Introduction. 6.2 The Electrode Problem and the Constant Phase Angle Conjecture. 6.3 The Diffusion Impedance and the Measurement of the MinkowskiBouligand Exterior Dimension. 6.4 The Generalized Modified Sierpinski Electrode. 6.5 A General Formulation of Laplacian Transfer Across Irregular Surfaces. 6.6 Electrodes, Roots, Lungs,
 6.7 Fractal Catalysts. 6.8 Summary. References. 7 Fractal Surfaces and Interfaces (With 27 Figures). 7.1 Introduction. 7.2 Rough Surfaces of Solids. 7.2.1 SelfAffine Description of Rough Surfaces. 7.2.2 Growing Rough Surfaces: The Dynamic Scaling Hypothesis. 7.2.3 Deposition and Deposition Models. 7.2.4 Fractures. 7.3 Diffusion Fronts: Natural Fractal Interfaces in Solids. 7.3.1 Diffusion Fronts of Noninteracting Particles. 7.3.2 Diffusion Fronts in d = 3. 7.3.3 Diffusion Fronts of Interacting Particles. 7.3.4 Fluctuations in Diffusion Fronts. 7.4 Fractal FluidFluid Interfaces. 7.4.1 Viscous Fingering. 7.4.2 Multiphase Flow in Porous Media. 7.5 Membranes and Tethered Surfaces. 7.6 Conclusions. References. 8 Fractals and Experiments (With 18 Figures). 8.1 Introduction. 8.2 Growth Experiments: How to Make a Fractal. 8.2.1 The Generic DLA Model. 8.2.2 Dielectric Breakdown. 8.2.3 Electrodeposition. 8.2.4 Viscous Fingering. 8.2.5 Invasion Percolation. 8.2.6 Colloidal Aggregation. 8.3 Structure Experiments: How to Determine the Fractal Dimension. 8.3.1 Image Analysis. 8.3.2 Scattering Experiments. 8.3.3 Sacttering Formalism. 8.4 Physical Properties. 8.4.1 Mechanical Properties. 8.4.2 Thermal Properties. 8.5 Outlook. References. 9 Cellular Automata (With 6 Figures). 9.1 Introduction. 9.2 A Simple Example. 9.3 The Kauffman Model. 9.4 Classification of Cellular Automata. 9.5 Recent Biologically Motivated Developments. 9.A Appendix. 9.A.1 Q2R Approximation for Ising Models. 9.A.2 Immunologically Motivated Cellular Automata. 9.A.3 Hydrodynamic Cellular Automata. References. 10 Exactly Selfsimilar Leftsided Multifractals with new Appendices B and C by Rudolf H. Riedi and Benoit B. Mandelbrot (With 10 Figures). 10.1 Introduction. 10.1.1 Two Distinct Meanings of Multifractality. 10.1.2 "Anomalies". 10.2 Nonrandom Multifractals with an Infinite Base. 10.3 Leftsided Multifractality with Exponential Decay of Smallest Probability. 10.4 A Gradual Crossover from Restricted to Leftsided Multifractals. 10.5 Preasymptotics. 10.5.1 Sampling of Multiplicatively Generated Measures by a Random Walk. 10.5.2 An "Effective" f(?). 10.6 Miscellaneous Remarks. 10.7 Summary. 10.A Details of Calculations and Further Discussions. 10.A.1 Solution of (10.2). 10.A.2 The Case ?min = 0. 10.B Multifractal Formalism for Infinite Multinomial Measures, by R.H. Riedi and B.B. Mandelbrot. 10.C The Minkowski Measure and Its Leftsided f(?), by B.B. Mandelbrot. 10.C.1 The Minkowski Measure on the Interval [0,1]. 10.C.2 The Functions f(?) and f?(?) of the Minkowski Measure. 10.C.3 Remark: On Continuous Models as Approximations, and on "Thermodynamics". 10.C.4 Remark on the Role of the Minkowski Measure in the Study of Dynamical Systems. Parabolic Versus Hyperbolic Systems. 10.C.5 In Lieu of Conclusion. References.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Cyvin, S. J.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1988.
 Description
 Book — 1 online resource (xv, 351 pages) Digital: text file; PDF.
 Summary

 Introduction
 Benzenoid Systems: Basic Concepts
 Kekulé Structures and Their Numbers: General Results
 Introduction to the Enumeration of Kekulé Structures
 NonKekuléan and Essentially Disconnected Benzenoid Systems
 Catacondensed Benzenoids
 Annelated Benzenoids
 Classes of Basic Benzenoids (I)
 Classes of Basic Benzenoids (II): Multiple Zigzag Chain
 Regular Three, Four and FiveTier Strips
 Classes of Basic Benzenoids (III)
 Classes of Basic Benzenoids (IV): Rectangles
 Regular SixTier Strips and Related Systems
 Determinant Formulas
 Algorithm: A Generalization
 Pericondensed AllBenzenoids and Related Classes
 Benzenoids with Repeated Units
 Distribution of K, and Kekulé Structure Statistics
 Bibliography
 Subject Index.
 Dunn, J. E.
 New York, NY : Springer New York, 1993.
 Description
 Book — 1 online resource (xv, 250 pages 85 illustrations) Digital: text file.PDF.
 Summary

 Nucleation, kinetics and admissibility criteria for propagating phase boundaries. On a combustionlike model for plastic strain localization. Shear waves and phase transformations. The Riemann problem for stystems of conservation laws of mixed type. On the evolutionary condition for stationary plane waves in inert and reactive substances. Dynamic effects in gradient theory for fluid mixtures. Continuum limits of discrete gases II. Nonequilibrium molecular dynamics. Nonlinear stability and instability of overcompressive shock waves. The dissipation topography associated with solutions to a Riemann problem involving elastic materials undergoing phase transitions. Kinks versus shocks. Shear strain localization in plastic deformations.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Freakley, Philip K.
 Boston, MA : Springer US, 1985.
 Description
 Book — 1 online resource (470 pages)
 Summary

 1. Rubber Product Manufacturing Systems
 1.1. Introduction
 1.2. The Systems Concept
 1.3. The Selection and Operation of Tests for Unvulcanized Rubber
 1.4. The Prediction, Monitoring, and Control of Process Performance
 1.5. Production Organization
 References
 2. Materials Behavior and Testing
 2.1. Introduction
 2.2. Flow Properties of Raw Elastomers and Rubber Mixes
 2.3. Measurement of Flow Properties
 2.4. Thermal and HeatTransfer Properties
 2.5. Vulcanization Characteristics
 References
 3. Principles of Mixing and Internal Mixers
 3.1. Introduction
 3.2. The Mechanisms of Mixing
 3.3. Elements of Internal Mixer Design
 3.4. Practical Mixing Variables
 3.5. Flow Instabilities
 3.6. Laboratory Simulation of FullScale Mixing
 References
 4. Screw Extrusion and Continuous Mixing
 4.1. Introduction
 4.2. Elements of Extruder Construction
 4.3. HotFeed Extruders
 4.4. ColdFeed Extruders
 4.5. Design of Extruder Heads and Dies
 4.6. Determination and Control of Extruder Operating Characteristics
 4.7. Continuous Mixing
 References
 5. Calendaring and Milling
 5.1. Introduction
 5.2. The Operating Characteristics of TwoRoll Mills
 5.3. Mill and Calender Roll Temperature Control
 5.4. Calender Configurations and Operations
 5.5. Roll Deflection and Methods of Correction
 5.6. Feeding, Sheet Cooling, and BatchOff Equipment
 5.7. Determination and Control of Calender Operation Characteristics
 References
 6. Heat Transfer and Vulcanization Methods
 6.1. Introduction
 6.2. Heat Transfer
 6.3. Prediction of State of Cure
 6.4. Molding
 6.5. Batch Vulcanization
 6.6. Continuous Vulcanization
 References
 7. Process Control and Quality Control
 7.1. The Interaction of Process Control and Quality Control
 7.2. Specifications
 7.3. ProcessCapability Studies
 7.4. Process Monitoring
 7.5. Process Control
 7.6. Quality Control
 References
 8. Plant Layout and Operations Methods
 8.1. General Considerations
 8.2. Transport and Storage in Manufacture
 8.3. Handling Methods and Operations at Work Stations
 8.4. Planning and Allocating Space
 8.5. Layout Synthesis and Evaluation
 8.6. Installing and Commissioning a Layout
 References
 9. Company Philosophy, Organization, and Strategy
 9.1. Philosophy
 9.2. Company Organization
 9.3. Market Research and Company Development
 References
 10. The Economics of Manufacturing Operations
 10.1. The Flow of Cash Through a Company
 10.2. Cost Identification and Analysis Methods
 10.3. Standard Costs
 10.4. Business Plans and Budgets
 10.5. Budgetary Control
 References
 11. Production Management
 11.1. Production Planning
 11.2. Purchasing and Inventory Control
 11.3. Implementing the Production Plan
 References.
 Fulde, P.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1991.
 Description
 Book — 1 online resource (xii, 422 pages 127 illustrations) Digital: text file; PDF.
 Summary

 1. Introduction
 2. The IndependentElectron Approximation
 2.1 Starting Hamiltonian
 2.2 Basis Functions and Basis Sets
 2.3 SelfConsistent Field Approximation
 2.4 Simplified SCF Calculational Schemes
 2.5 Koopmans' Theorem
 2.6 Homogeneous Electron Gas
 2.7 Local Exchange Potential The X? Method
 2.8 Shortcomings of the IndependentElectron Approximation
 2.9 Unrestricted SCF Approximation
 3. Density Functional Theory
 3.1 ThomasFermi Method
 3.2 HohenbergKohnSham Theory
 3.3 LocalDensity Approximation
 3.4 Results for Atoms, Molecules, and Solids
 3.5 Extensions and Limitations
 4. QuantumChemical Approach to Electron Correlations
 4.1 Configuration Interactions
 4.2 CoupledCluster Methods
 4.3 ManyBody Perturbation Theory
 5. The Projection Technique and Use of Local Operators
 5.1 The Projection Technique
 5.2 Local Operators
 5.3 Simplified Correlation Calculations
 6. Excited States
 6.1 CI Calculations and Basis Set Requirements
 6.2 Green's Function Method
 6.3 Local Operators
 7. FiniteTemperatureTechniques
 7.1 The Statistical Operator
 7.2 FunctionalIntegral Method
 7.3 Monte Carlo Methods
 8. Correlations in Atoms and Molecules
 8.1 Atoms
 8.2 Hydrocarbon Molecules
 8.3 Molecules Consisting of FirstRow Atoms
 8.4 Strength of Correlations in Different Bonds
 8.5 Polymers
 8.6 Photoionization Spectra
 9. Semiconductors and Insulators
 9.1 GroundState Correlations
 9.2 Excited States
 10. Homogeneous Metallic Systems
 10.1 FermiLiquid Approach
 10.2 Charge Screening and the Random Phase Approximation
 10.3 Spin Fluctuations
 11. Transition Metals
 11.1 Correlated Ground State
 11.2 Excited States
 11.3 Finite Temperatures
 12. Strongly Correlated Electrons
 12.1 Molecules
 12.2 Kondo Effect
 12.3 Hubbard Hamiltonian
 13. HeavyFermion Systems
 13.1 The Fermi Surface and Quasiparticle Excitations
 13.2 Model Hamiltonian and Slave Bosons
 13.3 Noncrossing Approximation
 13.4 Variational Wavefunctions
 13.5 Quasiparticle Interactions
 13.6 QuasiparticlePhonon Interactions Based on Strong Correlations
 14. Superconductivity and the HighTc Materials
 14.1 The Superconducting State
 14.2 Electronic Structure of the HighTc Materials
 14.3 2D Heisenberg Antiferromagnet
 14.4 Electronic Excitations in the CuO Planes
 Appendices.
 Ghanem, Roger G.
 New York, NY : Springer New York, 1991.
 Description
 Book — 1 online resource (x, 214 pages 94 illustrations) Digital: text file.PDF.
 Summary

 1 Introduction. 1.1 Motivation. 1.2 Review of Available Techniques. 1.3 The Mathematical Model. 1.4 Outline. 2 Representation of Stochastic Processes. 2.1 Preliminary Remarks. 2.2 Review of the Theory. 2.3 KarhunenLoeve Expansion. 2.3.1 Derivation. 2.3.2 Properties. 2.3.3 Solution of the Integral Equation. 2.4 Homogeneous Chaos. 2.4.1 Preliminary Remarks. 2.4.2 Definitions and Properties. 2.4.3 Construction of the Polynomial Chaos. 3 Stochastic Finite Element Method: Response Representation. 3.1 Preliminary Remarks. 3.2 Deterministic Finite Elements. 3.2.1 Problem Definition. 3.2.2 Variational Approach. 3.2.3 Galerkin Approach. 3.2.4 pAdaptive Methods, Spectral Methods and Hierarchical Finite Element Bases. 3.3 Stochastic Finite Elements. 3.3.1 Preliminary Remarks. 3.3.2 Monte Carlo Simulation (MCS). 3.3.3 Perturbation Method. 3.3.4 Neumann Expansion Method. 3.3.5 Improved Neumann Expansion. 3.3.6 Projection on the Homogeneous Chaos. 3.3.7 Geometrical and Variational Extensions. 4 Stochastic Finite Elements: Response Statistics. 4.1 Reliability Theory Background. 4.2 Statistical Moments. 4.2.1 Moments and Cummulants Equations. 4.2.2 Second Order Statistics. 4.3 Approximation to the Probability Distribution. 4.4 Reliability Index and Response Surface Simulation. 5 Numerical Examples. 5.1 Preliminary Remarks. 5.2 One Dimensional Static Problem. 5.2.1 Formulation. 5.2.2 Results. 5.3 Two Dimensional Static Problem. 5.3.1 Formulation. 5.3.2 Results. 5.4 One Dimensional Dynamic Problem. 5.4.1 Description of the Problem. 5.4.2 Implementation. 5.4.3 Results. 6 Summary and Concluding Remarks.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Gubanov, Vladimir A.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1992.
 Description
 Book — 1 online resource (x, 170 pages 79 illustrations) Digital: text file; PDF.
 Summary

 1. Introduction.
 2. Superexchange Interaction in Magnetic Insulators. 2.1 Anderson Model of Superexchange. 2.2 ManyElectron Superexchange. 2.3 Orbital Degeneracy and Magnetism. 2.4 ChargeTransfer Magnetic Insulators.
 3. Localized Magnetic Moments of Impurities in Metals. 3.1 Virtual Bound State. 3.2 Anderson Model of Localized Magnetic Moments. 3.3 Interaction of Impurities. 3.4 Orbital Degeneracy and Quenching of Orbital Moment. 3.5 Criteria for the Existence of Magnetic Moments Based on Ab Initio Calculations.
 4. Exchange Interactions in Metals. 4.1 Stoner's Model of Ferromagnetism. 4.2 SpinFluctuation Theories of Itinerant Magnetism. 4.3 HighTemperature Magnetic Structures of Ferromagnets.
 5. Ab Initio Approaches to the Electronic Structure of Magnetic Crystals. 5.1 SpinDensity Functional Approach. 5.2 BandStructure Approaches in the Green Function Formalism. 5.3 Magnetic Interactions Within the LSDA.
 6. Results of BandStructure Calculations for Transition Metals and Their Compounds. 6.1 Electronic Structure of Magnetic 3d Metals. 6.2 Intermetallic Compounds and the Concept of Covalent Magnetism. 6.3 Antiferromagnetic Monoxides. 6.4 Magnetic Structure and Exchange Interactions in HighTemperature Superconductors. 6.4.1 Magnetic Ordering in Nonsuperconducting Cuprates: Experimental Results. 6.4.2 BandStructure and Cluster Calculations of Antiferromagnetic Ordering. 6.4.3 Exchange Interaction Parameters in HighTC Superconductors.
 7. Magnetic Impurities in Metals. 7.1 Impurities in Aluminium. 7.2 Impurities in Transition Metals. 7.2.1 Impurities in Pd. 7.2.2 Impurities in Nb and Mo. 7.2.3 Impurities in Early Transition Metals (Ti, Zr). 7.3 Impurities in Magnetic Metals. 7.3.1 FeBased Impurity Systems. 7.3.2 NiBased Systems. 7.3.3 CoBased Impurities. 7.3.4 Impurities in Antiferromagnets. 7.3.5 Impurities in FeCo Alloys. 7.4 Interaction of Impurities.
 8. Conclusion. References.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Harms, Uwe.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1991.
 Description
 Book — 1 online resource (VII, 166 pages 88 illustrations)
 Summary

 SuperComputing  What is New. Local Area Networks  A Survey. Public Broadband Networks  Present State and Future Perspectives. Fast Access to Supercomputer Applications. High Speed Networking Solutions. Computational Chemistry in Industry  A Parallel Direct SCF. Quantum Chemical Investigations of Reactive Intermediates. Carbocations and Alkyl Radicals. Long Time Dynamics of Proteins: An OffLattice Monte Carlo Method. Quantum Mechanical Calculations of Small Molecules. Parallel Processing and Computational Chemistry. The Direct IGLO Method for the Calculation of NMR Chemical Shifts with the Program TURBOMOLE. Computer Aided Protein Design: Three Dimensional Model Building of the Saruplase Structure.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Harms, Uwe.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1990.
 Description
 Book — 1 online resource (VII, 143 pages 46 illustrations)
 Summary

 Supercomputers
 The Situation Today
 Graphic Supercomputing on the Ardent and Stellar Graphics Supercomputers
 Transputer
 A General Survey
 Transputers in Technical Applications
 Quantum Chemical Calculations on MIMD Type Computers
 Parallelizing an SCF Program on SUPRENUM
 Drug Design: A Combination of Experiment and Computational Chemistry
 Conformational Analysis of Peptides Using Molecular Dynamics
 The Use of Supercomputers in Medicinal Chemistry Examples from Peptide and Protein Projects
 Local Density Functional Calculations on Properties of Large Molecules
 Density Functional Calculations with Simulated Annealing
 New Perspectives for Molecular Calculations
 Authors' Index.
 Hawkins, Clifford.
 London : Springer London, 1985.
 Description
 Book — 1 online resource (xi, 184 pages)
 Summary

 1 Research: Why Do It?
 2 Planning and Protocol
 3 Searching the Literature
 4 Speaking at Meetings
 5 What the Critical Reader Looks for in an Original Article: A Guide for Writers
 6 Illustrating Talks and Articles
 7 A Guide to Statistical Methods
 8 Publication
 Appendix A Suggestions for Those Intending to Present an MD Thesis
 Appendix B How Best to Use a Dictating Machine
 Appendix C Examples of Needless Words that Cause Verbosity
 Appendix D American and British Usage in Spelling
 Appendix E Abbreviations of Journal Titles
 Appendix F Guidelines for Putting Up Poster Displays.
14. Major Research Topics in Combustion [1992]
 Hussaini, M. Y.
 New York, NY : Springer New York, 1992.
 Description
 Book — 1 online resource (xv, 650 pages 203 illustrations) Digital: text file; PDF.
 Summary

 Supersonic Combustion Status and Issues. Discussion on Supersonic Combustion. Flame Structure. Numerical Modeling of TwoDimensional Axisymmetric Laminar Diffusion Flames. Relevance of Nonpremixed Laminar Flames to Turbulent Combustion. LaminarFlame Structure. Discussion on Flame Structure. Flame Stability. Flame Stability. Stability of Laminar Diffusion Flames in Compressible Mixing Layers. Role of Acoustics in Combustion Instability. Hydrodynamic Instabilities in Flames. Discussion on Flame Stability. Flame Holding/Extinction. Mechanisms of Flame Stabilization in Subsonic and Supersonic Flows. Fuel Injection and Flameholding in High Speed Combustion Systems. Flame Holding in Unconfined Turbulent Premixed Flames. Discussion on Flame Holding/Extinction. Chemical Kinetics. Position Paper on Chemical Kinetics of Combustion Processes. Pressure Effects on the Kinetics of High Speed Chemically Reacting Flows. Chemical Kinetic Research Related to Combustion in HighSpeed Flows. Turbulence/Kinetic Interaction. The Interaction of Turbulence and Chemical Kinetics. TurbulenceKinetics Interaction in Recirculatory Flows. Comments on the Interaction of Turbulence and Chemical Kinetics. Transition to Detonation. On the Transition from Deflagration to Detonation. Discussion on the Transition from Deflagration to Detonation (DDT). Transition to Detonation  Role of Explosion within an Explosion. Discussion on Transition to Detonation. Reacting Free Shear Layers. Mixing Power Concepts in Scramjet Combustor Design. Discussion on Mixing Power Concepts in Scramjet Combustor Design. Some Current Issues in the Analysis of Reacting Shear Layers: Computational Challenges. Discussion on Reacting Shear Layers.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 International Conference of Students and Young Scientists "Prospects of Fundamental Sciences Development" (14th : 2017 : Tomsk, Russia)
 [Melville, New York} : AIP Publishing, 2017.
 Description
 Book — 1 online resource : illustrations (some color). Digital: text file.
 International Symposium on Synergetics (1983 : Berlin, Germany)
 Berlin : Springer Berlin Heidelberg, 1984.
 Description
 Book — 1 online resource (1 volume)
 Summary

 Some Introductory Remarks on Synergetics
 I Order, Chaos, Indeterminancies
 Time Pattern Transitions in Biochemical Processes
 Chaotic Behaviours Observed in Homogeneous Chemical Systems
 WaveNumber Selection in Rotating CouetteTaylor Flow
 Periodic and Chaotic Patterns in Selected Quantum Optical Systems
 Chaos in Lasers
 The Falling Pencil and Superfluorescence: Macroscopic Indeterminacies After the Decay of Unstable Equilibria
 II Ordered Structures and Processes in Biomembranes
 On the Formation of Transient Order in Biological Membranes
 Generalized Moment Description of Brownian Dynamics in Biological Systems
 Nonequilibrium Current Noise Generated by Ordered Ion Transport Processes in Biological Membranes
 The Molecular Machine of PhotosynthesisPhysicoChemical Aspects
 III Evolution of Structures
 Polynucleotide Replication and Biological Evolution
 The Evolution Strategy. A Mathematical Model of Darwinian Evolution
 Multigene Families and their Implications for Evolutionary Theory
 Evolution of Biothermodynamic Systems
 SelfOrganising Dynamic Models of Human Systems
 IV Social Sciences
 Some Applications of Basic Ideas and Models of Synergetics to Sociology
 A Synergetic Approach to EnergyOriented Models of SocioEconomic Technological Problems
 New Synergisms in SocioEconomic Systems: More Questions than Answers
 On the Entropy of Economic Systems
 V Complex Systems
 Death
 From Microscopic to Macroscopic Disorder
 Local Synaptic Modification Can Lead to Organized Connectivity Patterns in Associative Memory
 The Organization of Action in Time
 New Problems for an Old Brain
 Synergetics, Cognition and Evolutionary Epistemology
 Index of Contributors.
 Jennings, Barry R.
 Boston, MA : Springer US, 1979.
 Description
 Book — 1 online resource
 Summary

 Theoretical Advances
 Specific Kerr Constants of Rigid, Ellipsoidal Macromolecules in Conducting Solution at Very Low Ionic Strength
 Transient Electric Birefringence of Macromolecular Solutions at Reversing Fields of Arbitrary Strength and Duration
 The Limit of the Numerical Method of Inverting the Laplace Transformation and the Uniqueness of Relaxation Distribution Function Obtained by the Method
 Low Angle Approximations to the Theory of Alternating Electric Field Light Scattering
 A Theory of Dynamic LightScattering by Flexible Macromolecules in a Fluctuating Electric Field
 ElectroOptical Responses of Chiral Substances
 Absorption Phenomena
 An Instrument for the Measurement of Electric Dichroism
 Simultaneous Measurement of Dichroism and Birefringence on Suspensions of Absorbing Particles
 Electric Dichroism of Purple Membrane
 Electrochromism of Organic Dyes in Polymer Matrices
 Electrically Induced Fluorescence Changes from Solutions of Dye Tagged Polyribonucleotides
 Polarized Fluorescence in an Electric Field: Theoretical Calculation at Arbitrary Fields. Experimental Comparison with Other Electrooptical Effects. Saturation of the Induced Dipole Moment in Polyelectrolytes
 Nucleic Acids and Polynucleotides
 Dielectric Properties of LowMolecular Weight DNA in Aqueous Solutions at Low Ionic Strength
 ElectroOptic Measurement of?ray Induced Damage in DNA
 Physical Studies of Hg(ll) and Ag(l) DNA Complexes
 Theory
 ElectricField Induced Orientation of Polynucleotides
 The Stabilized Induced Dipole in Solutions of Polynucleotides
 Biological Systems
 ElectroOptical Properties of Nucleosomes and Nucleosomal DNA
 Polarisability Anisotropy as an Indicator of the Effects of Aminoglycoside Antibiotics on Sensitive, Dependent and Resistant Strains of E. coli
 Rotational Diffusion Coefficients of Complex Macromolecules
 Determination of Rotational Diffusion Coefficients of the Bacteriophages T4B and T7 by Depolarized Dynamic Light Scattering. The Influence of Double Scattering
 Effects of Calcium and ATP on the Conformation of FActin in Vivo and In Vitro
 Electric Birefringence of Cartilage Proteoglycan and its Association with Hyaluronic Acid
 An Electrical Birefringence Study of the Contribution of Permanent and Induced Dipole Moments to AcidSoluble Collagen Polarization
 Polyelectrolytes and Polymers
 ElectroOptical Changes in Biopolymers
 Chemical and Rotational Contributions
 Reversal of Birefringence Sign of Natural and Synthetic Polyelectrolytes in the Presence of Metal Cations and Coordination Complexes
 ElectroOptic Study of the Conformational Changes Induced in Partially Charged Poly4Vinylpyridine by Ions of Heavy Metals
 Kerr Constants of NaturallyOccurring?Amino Acids in Aqueous Solution
 A Bridge Method for Measuring the Dielectric Relaxation of Conducting Solutions
 Photoconductivity and Dielectric Properties of Polyhexamethylene Adipamide
 Colloidal Systems
 ElectroOptic Studies of Colloids and their Stability
 Size Distributions of Rigid Colloids from Transient Birefringence Data
 Length Dependence of the Ionic Contribution to the Anisotropy of the Electrical Polarisability for Rigid Rods
 Flow Alignment of a Colloidal Solution Which Can Undergo a Transition from the Isotropic to the Nematic Phase (Liquid Crystal)
 QuasiCrystals Produced By Colloidal Photochrome Dyes in an Applied Electric Field
 Effect of CTAB on Colloidal Suspensions of Sepiolite
 A Study by Light Scattering, Electric Birefringence, Laser Line Broadening and Electrophoretic Light Scattering
 Laser and High Field Effects
 Some Evidences for a Conformational Change of Polypeptide Induced by Strong Electric Fields
 Nonlinear Dielectric Effect of PBLG in Nonpolar Medium
 Laser and Electric Field Induced Kerr Effect Studies on Nematic Liquid Crystals
 Slow NonCritical Molecular Reorientation in the Isotropic Phases of Nematogens
 A Comparison of OpticoOptical Scattering and Birefringence Measurements on Wyoming Sodium Bentonite Suspensions
 Laser Photoinduced Changes in the High Frequency Dielectric Constant of Chloroplasts and Dyes
 Relation Between Electric FieldInduced Optical Rectification and ElectroOptic Kerr Effect in Macromolecular Solutions.
 Kiefer, Jürgen.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1988.
 Description
 Book — 1 online resource (viii, 200 pages 57 illustrations) Digital: text file; PDF.
 Summary

 Prelude: Why and to what end mathematical models In radiation biology. Models of cellular radiation action  an overview. Finestructures of energy deposition  introductory remarks. Analytics required by the multiple nature of radiation effects in cells. Problems in theoretical track structure research for heavy charged particles. Radiobiological modeling based on track structure. The role of energy distributions of charged particles in the mutagenic radiation action. Relative biological effectiveness: review of a model. Saturation in dual radiation action. Hitsize effectiveness approach in biophysical modeling. Interpreting survival observations using phenomenological models. Cluster theory of the effects of ionizing radiations. The LETHAL AND POTENTIALLY LETHAL model  a review and recent development. DNA doublestrand breaks and their relation to cytoxicity. The pairwise lesion interaction model. A repair fixation model based on classical enzyme kinetics. Formal, empirical and mechanistic equations in cellular radiation biology.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
 Krause, Egon.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 2000.
 Description
 Book — 1 online resource (viii, 515 pages 1281 illustrations) Digital: text file.PDF.
 Summary

 Physics. Finite difference modelling of elastic wave propagation in the Earth's uppermost mantle. Direct Simulation of Seismic Wave Propagation. Summary of Project 11172. Development and Astrophysical Applications of a Parallel Smoothed Particle Hydrodynamics Code with MPI. Collisional dynamics around black hole binaries in galactic centres. IMD  A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics. Symmetrie diblock copolymers confined into thin films: A Monte Carlo investigation on the CRAY T3E. Molecular Dynamics of Covalent Crystals. Simulation of random copolymers at selective interfaces and of crosslinked polymer blends. Towards the Limits of presentday Supercomputers: Exact Diagonalization of Strongly Correlated ElectronPhonon Systems. The MetalInsulator Transition in the Hubbard Model. Vibronic studies of adsorbatecovered semiconductor surfaces with the help of HPC. Computational Methods in Chemistry and Molecular Biology. The multireference configuration interaction method on massively parallel architectures. Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants. High Level QuantumChemical Computations on the Cyclizations of Enyne Allenes. MD Simulation of a Phospholipid Bilayer. ThreeDimensional Organization of Chromosome Territories and the Human Cell Nucleus. Computational Fluid Dynamics (CFD). Parallel Computation of Interface Dynamics in Incompressible TwoPhase Flows. Numerical Simulation of Fluid Flow and Heat Transfer in an Industrial Czochralski Melt Using a ParallelVector Supercomputer. Numerical flow simulation in cylindrical geometries. DNS of LaminarTurbulent Transition in Separation Bubbles. Numerical Simulation of Supersonic HydrogenAir Combustion. Computation of Turbulent Flows with Separation by Coherent Structure Capturing. Large Eddy Simulation of the Flow around a Circular Cylinder. Direct Numerical Simulations of an Adverse Pressure Gradient Turbulent Boundary Layer on High Performance Computers. Aeroelastic Analysis of a Helicopter Rotor in Forward Flight. Flow with chemical reaction. Investigation of ChemistryTurbulence Interactions Using DNS on the Cray T3E. Multigrid Convergence Acceleration for NonReactive and Reactive Flows. QuasiParticles in a ThreeDimensional ThreeComponent ReactionDiffusion System. Upwind Relaxation Algorithm for Reentry Nonequilibrium Flows. 3D Simulation of instationary turbulent flow and combustion in internal combustion engines. Numerical prediction of load changes in a coalfired utility boiler. Structural Mechanics and Electrical Engineering. Design and Application of Object Oriented Parallel Data Structures in Particle and Continuous Systems. Computation of Electromagnetic Fields by the Method of Moments on the CRAY T3E: Iterative Solution Techniques and Large Scale Applications. Numerical Treatment of Time Varying Magnetic Fields in Power Transformers by Using the Boundary Element Method (BEM). Direct and Inverse Electromagnetic Scattering. Computer Science. FineGrained Multithreading on the Cray T3E. ParGrad System: Dynamical Adaptation of the Parallelism Degree of Programs on Cray T3E. Comparative Measurements of the Solution of PDE's on the PARAGON and the SBPRAM. KaHPF: Compiler generated Data Prefetching for HPF. A Parallel Object Oriented Framework for Particle Methods. Parallel solution of Partial Differential Equations with Adaptive Multigrid Methods on Unstructured Grids. Coupling and Parallelization of Gridbased Numerical Simulation Software.
 (source: Nielsen Book Data)
(source: Nielsen Book Data)
Prof. Dr. Egon Krause Aerodynamisches Institut, RWTH Aachen Wiillnerstr. 5 u. 7, D52062 Aachen Prof. Dr. Willi Jager Interdisziplinares Zentrum fiir Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368, D69120 Heidelberg High Performance Computing is progressing as a discipline providing im portant tools for research and development in science and industry. The High Performance Computing Center Stuttgart (HLRS) is not only providing the facilities, hard and software for a growing community of researchers and developers, but it also promotes the knowhow to use supercomputers effi ciently. Regular exchange of information, of ideas and methods is essential in improving the proper use of the facilities, and their performance as well as the application of algorithms and of simulation techniques. A Second Result and Review Workshop on HighPerformance Computing in Science and Engineering, (October 4 6,1999) was organized by the HLRS in order to give an overview of the scientific work carried out during the past year and to demonstrate the state of the art in the various fields. In 1998 the Land BadenWiirttemberg decided to extend the responsibilities of the Steering Committee of the HLRS and therewith also the rules of access to its Scientific Supercomputing Center (SSC) Karlsruhe. That center was recently upgraded with the IBM RS 6000 SP, thereby significantly increasing the attractivity of the two centers, since the joint portfolio of computer architectures now covers most of the applicationprofile of their users.
(source: Nielsen Book Data)
 Lindholm, E.
 Berlin, Heidelberg : Springer Berlin Heidelberg, 1985.
 Description
 Book — 1 online resource
 Summary

 A. The LCAO model: "LCAO"
 1. Molecular Orbitals??
 2. The LCAO formalism
 3. The normalization and orthogonality of orbitals
 4. How to interpret the printout from a calculation
 5. The charge in??
 6. The charges on atoms and in bonds
 7. The idempotency of density matrices
 B. HartreeFock total energy: "HF"
 1. The Hamilton operator
 2. The wavefunctions in HartreeFock theory
 3. The total energy in HartreeFock theory
 4. The total energy in LCAO HartreeFock theory
 5. Selfrepulsion
 C. Density functional theory: "Density functional theory"
 1. Correlation
 2. Correlation energy
 3. Exact energy expression
 4. Exchangecorrelation energy
 5. Density functional theory: KohnSham orbitals
 6. Introducing KohnSham orbitals
 7. Introducing LCAO
 8. Paircorrelation energies
 9. Semiempirical methods
 10. Comment on semiempirical theories
 11. Conventional CI method to handle correlation
 12. Proof for GunnarssonLundqvist Exc
 D. Total energy of molecules and atoms: "HAM"
 1. Rearrangement of the total energy expression
 2. Shielding efficiencies??? in the onecenter terms
 3. The onecenter energies in a molecule
 4. Further study of the shielding efficiencies
 E. Atoms: "Atoms"
 1. The simple atom
 2. The energies of the spinconfigurations
 3. Comments on the shielding efficiencies
 4. Previous work on shielding efficiencies
 5. Total energies of atoms and atomic ions in HAM/3
 6. The multiplet split in atomic spectroscopy
 7. The average state
 8. Energies of terms
 energies of average states
 9. The physical meaning of the parameters
 10. The semiempirical methods HAM/3 and HAM/4
 F. Molecules: "Molecules"
 1. Interpretation of the energy expression for a molecule
 2. Local dipoles
 3. The final expression for the total energy
 4. The parametrization of HAM/3
 G. Solving the Schrödinger equation: "SCF"
 1. Variational calculus
 2. Deduction of Roothaan's equations
 3. The Fock matrix elements
 4. Solving the Roothaan equations
 5. Some useful relations for the eigenvalue
 6. Comparison with the HartreeFock method
 7. The eigenvalue?? in HartreeFock and HAM
 8. Molecules with a small HOMOLUMO gap
 H. Ionization and photoelectron spectroscopy: "PES"
 1. Calculation of ionization energy in the HAM model
 2. Treatment of ionization energies in HartreeFock
 3. Calculation of ionization energies in abinitio work
 4. Experimental methods for study of ionization
 5. Ionization of molecules: some results
 6. Further studies
 I. Excitation and UV spectroscopy: "UV"
 1. Calculation of excitation energy in the HAM model
 2. A primitive CI method to find singlettriplet splitting
 3. Calculation of intensitites
 4. Semiempirical methods to calculate excitation
 5. Rydberg transitions
 6. Calculation of excitation energies in abinitio work
 7. Experimental methods for study of excitation
 8. Excitation of molecules: some results
 9. Degenerate excited configurations will interact: CI
 10. Excitation of linear molecules
 J. Negative ions and electron affinities: "EA"
 1. Calculation of electron affinities in the HAM model
 2. Experimental methods for determination of EA's
 3. Electron affinities of molecules: some results
 4. The relation between the PES, UV and EA results
 5. Other calculations of electron affinities
 6.?* orbitals
 K. Studies of 1s electrons: "ESCA"
 1. Calculation of 1s ionization energies in the HAM model
 2. Experimental methods in ESCA
 3. ESCA energies: some results
 4. Excitation of 1s electrons, studied in electron impact
 5. Excitation of 1s electrons, studied spectroscopically
 L. Shake up in PES and EA: "Shake up"
 1. Shake up in PES
 2. Calculation of the PES shakeup energy
 3. Shake ups in PES: some results
 4. Discussion of calculations of shake up in PES
 5. Shake up in EA
 6. Shake ups in EA in small molecules: some results
 7. The UV spectrum of the naphthalene anion
 8. Shake ups in EA in larger molecules
 M. Total energy: "Total energy"
 1. The total energy of a molecule
 2. Heat of formation
 3. Check of the transition state method
 4. Doubly charged ions
 N. Dipole moments: "Dipole moment"
 1. Calculation of dipole moment
 2. Dipole moment of HCN
 O. Chemical reactions: "Reactions"
 1. Can a HAM model be used?
 2. Dissociation of cyclobutane
 3. The internal rotation of ethylene.