ISBN 9780074620540,Introductory To Quantum Chemistry

Introductory To Quantum Chemistry



Tata McGraw - Hill Education

Publication Year 2009

ISBN 9780074620540

ISBN-10 0074620541


Edition 4th
Number of Pages 389 Pages
Language (English)

Science fiction

This classic text, now in its fourth edition, has been updated and enlarged to reflect the latest developments in Quantum Chemistry. The book retains its emphasis on concepts, and presents simplified mathematical treatment. It includes 109 problems of which 43 are new to this edition. Key features Includes new sections on projection operator, density matrix, tunneling and its applications, Hartree-Fock treatment of atoms, restricted and unrestricted Hartree-Fock theories and electron correlation. Covers state-of-the-art semi-empirical and abinitio molecular orbital methods to explain current methods of performing electronic structure calculations. Illustrates Born-Oppenheimer approximation and John-Teller effect with examples and carefully chosen problem. The book will essentially serve as a basic test for students of Quantum Chemistry at the postgraduate level. It will also be useful to students of Chemical Physics and to researchers in Physical Chemistry. TABLE OF CONTENTS Chapter 1 Introduction: Waves and Quanta Chapter 2 Operator Concept in Quantum Chemistry Chapter 3 Wave Mechanics of Some Simple Systems with Constant Potential Energy Chapter 4 Wave Mechanics of Some Simple Systems where the Potential Energy is not Constant Chapter 5 Approximation Methods and Interaction of Radiation and Matter Chapter 6 Many-Electron Atoms and Angular Momenta Chapter 7 Molecular Orbital and Valence Bond Theories for Diatomic Molecules Chapter 8 Chemical Bonding in Polyatomic Molecules Chapter 9 Symmetry Chapter 10 Semi-Empirical and Ab Initio SCF Theories Chapter 11 Hellmann-Feynman Theorem and Its Chemical Applications