Handbook of

Molecular Physics and

Quantum Chemistry

Volume 3

Molecules in the Physico -chemical Environment :

Spectroscopy, Dynamics and Bulk Propertie s

Stephen Wilson

VOLUME 3 : MOLECULES IN THE PHYSICO-CHEMICAL ENVIRONMENT :SPECTROSCOPY, DYNAMICS AND BULK PROPERTIE S

Contributors to Volume 3

vij

13 Molecules at Crystalline Surfaces and in Crystal Cages

33 9C. Pisan i

14 Molecules in Space

35 6Foreword to Volume 3

ix

J. Tennyson

Preface to Volume 3

xiii Part 4: Molecular ElectronicSpectroscopy

37 1

Part 1 : Response Theory and Propagator

15 Electronic Spectroscopy of Diatomic Molecules

37 3P.F. Bernath

Methods

1

16 The Electronic Spectroscopy of Polyatomic Molecules

38 61 Response to a Time-dependent Perturbation

3

D.C. Moule/R.H. Judg e

B.T. Pickup

17 Rydberg States

423

2 Propagator Theory

17

R .C. Shiell

B .T. Pickup3 Electric and Magnetic Properties of Molecules

5 3P. Lazzeretti

Part 5: Atomic Spectroscopy and Molecula rVibration-rotation Spectroscopy

44918 Absorption and Emission of Electromagnetic Radiation

45 1Part 2 : Interactions Between Molecules

147

J.L. Hardwick4 Introduction and Historical Survey

149

19 Atomic Spectroscopy

467

LG. Kaplan

N. Vaec k

5 The Interatomic Potential Concept and Classification of

20 Rotation and Vibration of Diatomic Molecules

48 3

Interactions

155

C. Bissonnette

1.G. Kaplan

21 Rotation and Vibration of Polyatomic Molecules

507

6 Types of Intermolecular Interactions : Qualitative Picture

161

C. Bissonnette

I.G. Kaplan

7 Non-additivity of Intermolecular Interactions : Applications to

Part 6 : Molecular Dynamics and Dynamica lAtomic Clusters

18 2LG. Kaplan

Processes

5458 Model Potentials

203

22 Classical Scattering

547I.G. Kaplan

A .S. Dickinso n9 Symmetry-adapted Perturbation Theory

232

23 Quantum Theory of Elastic Scattering

574B. Jeziorski/K. Szalewicz

W.-K. Li u24 Quantum Theory of Inelastic Scattering

59 7W.-K Li u

Part 3 : Molecules in Different

25 Quantum Theory of Reactive Scattering

623D.J. Kouri

Environments

28110 Molecular Properties in Different Environments

28 3B .T. Sutcliffe

Part 7: Bulk Properties

64111 Molecules in Solution

299

26 Introduction to Bulk Phenomena

643J. Tomasi/B . Mennucci/R. Cammi

F.R.W. McCourt12 Molecular Crystals

329

27 Virial Coefficients

673C. Pisani

F.R.W. McCourt

28 Gas Transport Properties

712

Subject Index

757F.R.W. McCourt

Contents for Volumes 1 and 2

753 Cumulative Subject Index

769