Methods of molecular quantum mechanics : an introduction to electronic molecular structure /

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...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Magnasco, Valerio
Format: Electronic eBook
Language:Inglés
Published: Chichester, U.K. : Wiley, 2009.
Subjects:
Quantum chemistry.
Molecular structure.
Electrons.
Chimie quantique.
Structure moléculaire.
Électrons.
molecular structure.
SCIENCE > Chemistry > Physical & Theoretical.
Electrons
Molecular structure
Quantum chemistry
Online Access:Texto completo
Table of Contents:
  • 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.

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