Theoretical Chemistry

List of Contributors

Preface

Contents of Previous Volumes

Primitive Electrolytes in the Mean Spherical Approximation

I. Introduction

II. Historical Background

III. The Correlation Functions

IV. Sum Rules and Bounds

V. Cluster Expansions

VI. The Optimized Cluster Expansion

VII. The Mean Spherical Approximation

VIII. Discussion and Perspectives

Appendix A: The Relation between the Hypernetted Chain Approximation and the Poisson-Boltzmann Equation

Appendix B: Solution of the MSA for Different Diameters

Appendix C: The Poles of Eq. (7.83)

References

Lattice Sums

I. Introduction

II. Historical Survey

III. The ^-Function Method in the Analysis of Lattice Sums

IV. Number Theoretic Approaches to Lattice Sums

V. Contour Integral Technique

VI. Conclusion

Appendix A

Appendix B

References

A Lattice Model of a Quantum Fluid

I. Introduction

II. A Cell Model for Fluids

III. Conventional Phase Transitions, the Critical Region, and Homogeneity

IV. Fluid-Magnet Analogy and Universality

V. Exact Series Expansions

VI. The Renormalization Group

VII. Two-Dimensional Systems: The Planar Model

VIII. Discussion and Summary

References

Computational Aspects of Chemical Equilibrium in Complex Systems

I. Introduction

II. Problem Formulation and Mathematical Properties

III. Chemical Equilibrium Algorithms for Ideal Systems

IV. Chemical Equilibrium Algorithms for Real Systems

V. The Effects of Problem Parameter Changes (Sensitivity Analysis) 236

VI. Miscellaneous Topics

VII. Summary and Conclusions

References

Subject Index