Molecular quantum mechanics / P. W. Atkins and R. S. Friedman.
By: Atkins, P. W. (Peter William).
Contributor(s): Friedman, R. S.
Material type: BookPublisher: Oxford : Oxford University Press, 1996Edition: 3rd ed.Description: xvii, 545 p. ; 26 cm.ISBN: 0198559488 ; 019855947X .Subject(s): Quantum chemistryDDC classification: 541.28Item type | Current library | Call number | Copy number | Status | Date due | Barcode | Item holds |
---|---|---|---|---|---|---|---|
General Lending | MTU Bishopstown Library Lending | 541.28 (Browse shelf(Opens below)) | 1 | Available | 00016170 |
Enhanced descriptions from Syndetics:
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.
Includes bibliographical references and index.
Introduction and orientation -- The foundations of quantum mechanics -- Linear motion and the harmonic oscillator -- Rotational motion and the hydrogen atom -- Angular momentum -- Group theory -- Techniques of approximation -- Atomic spectra and atomic structure -- An introduction to molecular structure -- The calculation of electronic structure -- Molecular rotations and vibrations -- Molecular electronic transitions -- The electric properties of molecules -- The magnetic properties of molecules -- Scattering theory.
Table of contents provided by Syndetics
- 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