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May 1, 1971Physics Today1,626 citations

Methods of Molecular Quantum Mechanics

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RMR. McWeenyBSBrian T. SutcliffeGBG. O. Brink

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Abstract

Introductory Survey. Mathematical Methods. Many-Electron Wavefunctions. Spin and Permutation Symmetry. Digression: The Electron Distribution. Self-Consistent Field Theory. Valence Bond Theory. Multiconfiguration SCF Theory. Perturbation Theory and Diagram Techniques. Large-Scale CI and the Unitary-Group Approach. Small Terms in the Hamiltonian. Static Properties. Dynamic Properties and Response Theory. Propagator and Equation-of-Motion Methods. Intermolecular Forces. Appendixes: Atomic Orbitals. Angular Momentum. Symmetry and Group Concepts. Relativistic Terms in the Hamiltonian. References. Index.

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McWeeny et al. (1971) studied this question.

synapsesocial.com/papers/6a1f176692398f5ae172963chttps://doi.org/10.1063/1.3022743
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