Handbook o f

Molecular Physics and

Quantum Chemistry

Volume 1

Fundamentals

Stephen Wilson

VOLUME 1 : FUNDAMENTALS

Contributors to Volume 1

vii Part 3: Orbital Models for Atomic, Molecularand Crystal Structure

221Foreword to Volume 1

iX

16 Orbital Models for Many-electron Systems

223J. Avery/R. McWeeny

Preface to Volume 1

Xiii

17 Electronic Structure of Atoms

23 6J. Avery

18 Interlude : The Description of Electronic Structure

25 0Part 1 : Introduction

1

R . McWeeny

1 Molecular Physics and Quantum Chemistry

3

19 Molecular Orbitals and Molecular Structure

263S. Wilson

J. Avery/R. McWeen y

2 Basic Properties of the Elements

15

20 Orbital Models for Periodic Systems

28 5S. Wilson

J. Avery3 Units and Atomic Units

39

21 Relativistic Independent Particle Models

30 1S. Wilson

S. Wilso n4 Some Mathematical Apparatus and Data

44S. Wilson

5 Physical Constants

5 5S. Wilson

Part 4: Symmetry Groups and MolecularStructure

313Part 2: Elements of Quantum Mechanics

67 22 Group Theory

31 5

6 The Physical Basis of Quantum Theory

69

P .J. Grou t

R. McWeeny

23 The Symmetric Group

36 9S. Wilson

7 Some Simple Solutions of Schrödinger's Equation

80

24 The Unitary Group

38 0R. McWeeny

S. Wilson8 Mathematical Digression

90

25 Mathematical Apparatus of the Theory of Angula rR. McWeeny

Momentum - A.P . Yutsis/I .B . Levinson/V .V . Vanagas

39 09 The General Formulation of Quantum Mechanics

108

Edited by: S. Wilso n

R. McWeeny

10 An Illustrative Application

126R. McWeeny

Part 5 : Second Quantization and Many-bod y11 General Theory of Representations

13 9R. McWeeny

Methods

42912 Symmetry in Quantum Mechanics : An Introduction

161

26 Classical Field Theory and Second Quantization

43 1R. McWeeny

B .T. Pickup

13 Spherical Symmetry : Angular Momentum

176

27 The Occupation Number Representation and the Many-bodyR . McWeeny

Problem

44 214 Relativity and Quantum Mechanics

190

B.T. Pickup

S. Wilson

28 Second Quantization and Lie Algebra

45 215 The Dirac Equation and Dirac Spectrum

200

B.T. PickupS. Wilson

29 Spectral Density Distribution Moments

46 115 Appendices to Part 2

210

J.A . KarwowskiR . McWeeny

Part 6 : Approximate Separation of Electronic

Part 7: Quantum Electrodynamics of Atom sand Nuclear Motion

475 and Molecules

62130 The Atomic Nucleus

477

37 Classical Electrodynamics

623A.-M. Mdrtensson-Pendrill/M. G.H. Gustavsson

R . Guy Woolley31 Coordinate Systems and Transformations

485

38 The Free Electromagnetic Field

646B.T. Sutcliffe

R . Guy Woolley32 Molecular Hamiltonians

501

39 Quantization of the Electromagnetic Field

65 7B.T. Sutcliffe

R . Guy Woolley33 Relativistic Molecular Hamiltonians

526

40 Atoms, Photons, and Molecules

67 9H.M. Quiney

R . Guy Woolley34 Potential Energy Curves and Surfaces

574B.T. Sutcliffe

Contents for Volumes 2 and 3

70535 Molecular Structure and Bonding

58 8B .T. Sutcliffe

36 Breakdown of the Born-Oppenheimer Approximation

599

Subject Index

707B .T. Sutcliffe