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1 Local Warehouse Physics- Quantum Mechanics

Molecular Quantum Mechanics

by

Molecular Quantum Mechanics Cover

 

Synopses & Reviews

Publisher Comments:

Quantum mechanics embraces the behaviour of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, unravelling those fundamental physical principles which explain how all matter behaves.

With the clarity of exposition and rich pedagogy which have established the book as a leading text in the field, Molecular Quantum Mechanics takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules. Lucid explanations and illuminating artworks help to visualise the many abstract concepts upon which the subject is built.

Fully updated to reflect the latest advances in computational techniques, and enhanced with more mathematical support and worked examples than ever before, Molecular Quantum Mechanics remains the ultimate resource for those wishing to master this important subject.

Supplementary resources

Companion web site, featuring:

Illustrations available to download

Solutions manual available to download [instructors only]

Synopsis:

Molecular Quantum Mechanics established itself as a classic as soon as the original edition appeared. Maintaining the important and essential spirit of the earlier editions, this third edition remains in the forefront of its field. The book has been entirely rewritten to present the subject more clearly than ever before, and the use of two-color art helps to make the text even more accessible. The text remains unique in the range of topics it covers, from the foundations of quantum mechancis to applications such as spectroscopy and the electric and magnetic properties of matter. Two entirely new chapters have been added to this third edition. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. Anyone teaching courses using quantum mechanics, particularly quantum chemistry, will not only find this volume authoritative but highly approachable as well.

Table of Contents

INTRODUCTION AND ORIENTATION

1. THE FOUNDATIONS OF QUANTUM MECHANICS

Operators in quantum mechanics

The postulates of quantum mechanics

The specification of evolution of states

Matrices in quantum mechanics

The plausibility of the schrodinger equation

Exercises

2. LINEAR MOTION AND THE HARMONIC OSCILLATOR

The characteristics of acceptable wave functions

Some general remarks on the schrodinger equation

Translational motion

Penetration into and through barriers

Place in a box

The harmonic oscillator

Translation revisted: the scattering matrix

3. ROTATIONAL MOTION AND THE HYDROGEN ATOM

Particle on a ring

Particle on a sphere

Particle in a coulombic field

4. ANGULAR MOMENTUM

The angular momentum operators

The definition of the states

The angular momenta of composite systems

Problems

5. GROUP THEORY

The Symmetries of objects

The calculus of symmetry

Reduced representations

The symmetry properties of functions

The full rotation group

Applications

6. TECHNIQUES OF APPROXIMATION

Time-independent perturbation theory

Variation theory

The Hellmann-Feynman theorem

Time-dependent perturbation theory

7. ATOMIC SPECTRA AND ATOMIC STRUCTURE

The spectrum of atomic hydrogen

The structure of helium

Many-electron atoms

Atoms in external fields

8. AN INTRODUCTION TO MOLECULAR STRUCTURE

The born-oppenheimer approximation

Molecular orbital theory

Molecular orbital theory of polyatomic molecules

The band theory of solids

9. THE CALCULATIONS OF ELECTRONIC STRUCTURE

The Hartree-Fock Self-consistent field method

Electron correlation

Density Functional Theory

Gradient Methods and Molecular Properties

Semiempirical methods

Molecular mechanics

Software packages for electronic structure calculations

Problems

10 MOLECULAR ROTATIONS AND VIBRATIONS

Spectroscopic transitions

Molecular rotation

The vibrations of diatomic molecules

The vibrations of polyatomic molecules

Appendix: Centrifugal distortion

11. MOLECULAR ELECTRONIC TRANSITIONS

The states of diatomic molecules

Vibronic transitions

The electronic spectra of polyatomic molecules

The fates of excited species

12. THE ELECTRIC PROPERTIES OF MOLECULES

The response to electric fields

Bulk electrical properties

Optical activity

13.THE MAGNETIC PROPERTIES OF MOLECULES

The descriptions of magnetic fields

Magnetic Perturbations

Magnetic Resonance Parameters

14. SCATTERING THEORY

The formulation of scattering events

Partical-wave stationary scattering states

Multichannel scattering

Product Details

ISBN:
9780199274987
Author:
Atkins, P W
Publisher:
Oxford University Press
Author:
Friedman, Ronald S.
Author:
Friedman, Ronald
Author:
Atkins, Peter W.
Author:
null, Peter
Author:
Atkins, P. W.
Author:
null, Ronald
Author:
Atkins, Peter
Subject:
Chemistry - Physical & Theoretical
Subject:
Quantum Theory
Subject:
Quantum chemistry
Subject:
Chemistry | Physical Chemistry
Copyright:
Edition Number:
4
Publication Date:
20050217
Binding:
Paperback
Grade Level:
College/higher education:
Language:
English
Illustrations:
278 line illus.
Pages:
588
Dimensions:
7.3 x 9.5 x 1.2 in 2.756 lb

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Science and Mathematics » Physics » General
Science and Mathematics » Physics » Quantum Mechanics

Molecular Quantum Mechanics Used Hardcover
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Product details 588 pages Oxford University Press - English 9780199274987 Reviews:
"Synopsis" by , Molecular Quantum Mechanics established itself as a classic as soon as the original edition appeared. Maintaining the important and essential spirit of the earlier editions, this third edition remains in the forefront of its field. The book has been entirely rewritten to present the subject more clearly than ever before, and the use of two-color art helps to make the text even more accessible. The text remains unique in the range of topics it covers, from the foundations of quantum mechancis to applications such as spectroscopy and the electric and magnetic properties of matter. Two entirely new chapters have been added to this third edition. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. Anyone teaching courses using quantum mechanics, particularly quantum chemistry, will not only find this volume authoritative but highly approachable as well.
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