Methods of molecular quantum mechanics : an introduction to electronic molecular structure / Valerio Magnasco.
Publication details: Chichester, U.K. : Wiley, 2009.Description: 1 online resource (xiv, 283 pages) : illustrationsContent type:- text
- computer
- online resource
- 9780470684542
- 0470684542
- 9780470684559
- 0470684550
- 0470684429
- 9780470684429
- 0470684410
- 9780470684412
- 541/.28 22
- QD462 .M335 2009eb
Includes bibliographical references and indexes.
Principles -- Matrices -- Atomic Orbitals -- Variation Method -- Spin -- Antisymmetry of Many-Electron Wavefunctions -- Self-consistent-field Calculations and Model Hamiltonians -- Post-Hartree-Fock Methods -- Valence Bond Theory and the Chemical Bond -- Elements of Rayleigh-Schroedinger Perturbation Theory -- Atomic and Molecular Interactions -- Symmetry.
This provides an advanced text introducing graduate students to the mathematical foundations of methods needed to do working applications in molecular quantum mechanics. It contains a consistent use of atomic units from the very beginning for simplifying mathematical formulae, and presents a unified presentation of basic elements of atomic and molecular interactions, with particular emphasis on practical use of second-order calculation techniques.
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