Ab Initio Methods in Quantum Chemistry/Part 2 (Advances in Chemical Physics)

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Ab Initio Methods in Quantum Chemistry/Part 2 (Advances in Chemical Physics)

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  • 製本 Hardcover:ハードカバー版
  • 言語 ENG,ENG
  • 商品コード 9780471909019
  • DDC分類 541.28

Full Description


This series aims to report, interpret and evaluate progress in the field of quantum chemistry. Over the course of several years, the series has treated the many facets of chemical physics and is designed to function as an essential reference and guide to further progress. For each volume, the editor selects topics within chemical physics and invites an expert to write a comprehensive article. Volume 69 presents a review of recent developments in ab initio methods in quantum chemistry, covering the applied aspects. Reviews from experts in these areas are included.

Contents

Matrix Formulated Direct MCSCF and MCSCF CI Methods; The MCSCF Method; Propagator Methods; Analytical Derivative Methods in Quantum Chemistry; Symmetry and Degeneracy in X and Density Functional Theory; Modern Valence Bond Theory; The Complete Active Space (CAS) SCF Method and its Applications in Electronic Structure Calculations; Transition Metal Atoms and Dimers; Weakly Bonded Systems.