Articoli correlati a Methods of Electronic Structure Theory
Sinossi
1. Gaussian Basis Sets for Molecular Calculations.- 2. The Floating Spherical Gaussian Orbital Method.- 3. The Multiconfiguration Self-Consistent Field Method.- 4. The Self-Consistent Field Equations for Generalized Valence Bond and Open-Shell Hartree-Fock Wave Functions.- 5. Pair Correlation Theories.- 6. The Method of Configuration Interaction.- 7. The Direct Configuration Interaction Method from Molecular Integrals.- 8. A New Method for Determining Configuration Interaction Wave Functions for the Electronic States of Atoms and Molecules: The Vector Method.- 9. The Equations of Motion Method: An Approach to the Dynamical Properties of Atoms and Molecules.- 10. POLYATOM: A General Computer Program for Ab Initio Calculations.- 11. Configuration Expansion by Means of Pseudonatural Orbitals.- Author Index.
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