Ab Initio Valence Calculations in Chemistry

✍ Scribed by D. B. Cook (Auth.)

Publisher: Butterworth & Co Publishers Ltd
Year: 1974
Tongue: English
Leaves: 277
Category: Library

No coin nor oath required. For personal study only.

✦ Table of Contents

Content:
Front Matter, Page iii
Copyright, Page iv
PREFACE, Pages v-vii
ACKNOWLEDGEMENTS, Page vii
1 - INTRODUCTION, Pages 1-3
2 - THE SCHRÖDINGER EQUATION, Pages 4-17
3 - THE ORBITAL APPROXIMATION, Pages 18-38
4 - ATOMIC ORBITALS, Pages 39-53
5 - THE MOLECULAR ORBITAL AND VALENCE BOND METHODS, Pages 54-74
6 - PRACTICAL MOLECULAR WAVE FUNCTIONS, Pages 75-90
7 - THE GENERAL STRATEGY, Pages 91-103
8 - MOLECULAR INTEGRALS - COMPUTATION AND STORAGE, Pages 104-132
9 - ORBITAL TRANSFORMATIONS, Pages 133-158
10 - POPULATION ANALYSIS AND PHYSICAL INTERPRETATION, Pages 159-168
11 - OPEN SHELL SYSTEMS, Pages 169-181
12 - THE USE OF MOLECULAR SYMMETRY, Pages 182-208
13 - LOCALISED DESCRIPTIONS OF ELECTRONIC STRUCTURE, Pages 209-231
POST SCRIPT, Pages 232-234
APPENDIX A - GTF MOLECULAR INTEGRALS, Pages 235-239
APPENDIX B - PROGRAM PACKAGES, Pages 240-241
APPENDIX C - SAMPLE PROGRAMS, Pages 242-262
INDEX, Page 263
INDEX OF MATRICES, Pages 264-266
INDEX OF ROMAN SYMBOLS, Pages 267-269
INDEX OF GREEK SYMBOLS, Pages 270-271

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