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9780124865525

Methods of Molecular Quantum Mechanics

by
  • ISBN13:

    9780124865525

  • ISBN10:

    0124865526

  • Edition: 2nd
  • Format: Paperback
  • Copyright: 1992-05-12
  • Publisher: Elsevier Science

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Summary

The last twenty years have seen remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first successful edition of this book have been implemented on a grand scale. In the Second Edition, McWeeny has completely revised the text and has added a wealth of new material and example problems. Key Features * Self-contained development of modern quantum theory of molecular electronic structure and properties * Assumes only an elementary quantum mechanics background * Mathematical methods (vector spaces, representations, group theory, etc.) built up as required * Latest advances (use of second quantization, unitary group, propagators all developed assuming no previous knowledge)

Table of Contents

Introductory Survey
Mathematical Methods
Many-Electron Wavefunctions
Spin and Permutation Symmetry
Digression: The Electron Distribution
Self-Consistent Field Theory
Valence Bond Theory
Multiconfiguration SCF Theory
Perturbation Theory and Diagram Techniques
Large-Scale CI and the Unitary-Group Approach
Small Terms in the Hamiltonian
Static Properties
Dynamic Properties and Response Theory
Propagator and Equation-of-Motion Methods
Intermolecular Forces
Appendixes: Atomic Orbitals
Angular Momentum
Symmetry and Group Concepts
Relativistic Terms in the Hamiltonian
References
Index
Table of Contents provided by Publisher. All Rights Reserved.

Supplemental Materials

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