Molecular electronic-structure theory

作者：Mark A. Ratner · 年份：2000 · 被引用次数：1517 · 研究领域：History and advancements in chemistry

Second Quantization Spin in Second Quantization Orbital Rotations Exact and Approximate Wave Functions The Standard Models Atomic Basis Functions Short-Range Interactions and Orbital Expansions Gaussian Basis Sets Molecular Integral Evaluation Hartree-Fock Theory Configuration-Interaction Theory Multiconfigurational Self-Consistent Field Theory Coupled-Cluster Theory Perturbation Theory Calibration of the Electronic-Structure Models List of Acronyms Index