Overview

This is an advanced volume on quantum chemistry that will be useful for graduate students and as a reference for people in or moving into the field. It will be multi-disciplinary in nature, attracting a market in physical chemistry, spectroscopy, physics, and material science.

Full Product Details

Author:   Istvan Mayer
Publisher:   Springer Science+Business Media
Imprint:   Kluwer Academic/Plenum Publishers
Edition:   2003 ed.
Dimensions:   Width: 17.80cm , Height: 2.60cm , Length: 25.40cm
Weight:   1.970kg
ISBN:  

9780306474095

ISBN 10:   0306474093
Pages:   337
Publication Date:   31 March 2003
Audience:   College/higher education ,  Professional and scholarly ,  Undergraduate ,  Postgraduate, Research & Scholarly
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print  
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

1. The Born-Oppenheimer Hamiltonian.- 2. General Theorems and Principles.- 3. The Linear Variational Method and Löwdin’s Orthogonalization Schemes.- 4. Perturbational Methods.- 5. Determinant Wave Functions.- 6. The Hartree-Fock Method.- 7. Population Analysis, Bond Orders, and Valences.- 8. The Electron Correlation.- 9. Miscellaneous.- Appendices.- I. Separating the motion of the center of mass in classical mechanics.- II. Reducing the two-body problem to two one-body ones in classical mechanics.- III. Analogy between differentials and variations.- IV. Euler’s theorem for homogenous functions.- V. The virial theorem in classical mechanics.- VI. The electronic Schrödinger equation in atomic units.- VII. The “bra-ket” formalism.- 1. Dirac’s “bra” and “ket” vectors.- 2. Analogy with the matrix formalism.- 3. The use of an overlapping basis.- 4. Example of using the bra-ket formalism: The hypervirial theorem.- 5. Projection operators.- 6. Resolution of identity.- 7. Spectral resolution of Hermitian operators.- 8. The case of non-Hermitian operators—biorthogonal sets of functions.- 9. The trace of the projector.- VIII. Collection of formulas for Rayleigh-Schrödinger perturbation theory (nondegenerate case).- IX. Direct products of matrices.- X. Permutations.- XI. An orthogonalization algorithm.

Reviews

Author Information

Tab Content 6

Author Website:  

Customer Reviews

Recent Reviews

No review item found!

Add your own review!

Countries Available

All regions