Theoretical Chemistry Advances and Perspectives V2

Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry.

This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems.

This volume considers the instability of the Hartree-Fock ground state in a magnetic field and very high magnetic fields that are pertinent to the structure of matter in collapsed stellar objects. The electron-hole plasma in certain highly-doped semiconductors and many-electron correlation problem are likewise included.

This publication is a good reference for students and researchers conducting work on the mathematical description of chemistry.

Contenu

List of Contributors
Preface
Contents of Volume 1
Calculations of Intermolecular Interaction Energies
I. Introduction
II. Some Preliminary Results
III. The Nature of the Contributions to Intermolecular Forces
IV. Long-Range Interactions between Localized Charge Distributions
V. Intermolecular Forces between Hydrocarbons
Appendix 1. The Bipolar Expansion
Appendix 2. Units
Appendix 3. Some Operator Identities
References
The Electron Gas in a Magnetic Field: Nonrelativistic Ground State Properties
I. Introduction
II. Preliminary Theory
III. Noninteracting Electrons in a Magnetic Field
IV. Hartree-Fock Theory
V. Correlation Energy: Random Phase Approximation
VI. Summary and Discussion
References
Many-Electron Correlation Problem. A Group Theoretical Approach
I. Introduction
II. Irreducible Representations of the General Linear Group and Its Unitary Subgroups
III. Many-Body Problem and Representation Theory of U(n)
IV. Unitary Group Formalism for N-Electron Systems
V. Pattern Calculus for N-Electron Systems
VI. Applications
VII. Conclusions
Appendixes
References
Subject Index