Ebook: Methods in Computational Molecular Physics

An Overview of Molecular Quantum Mechanics; R. McWeeny. The Born-Oppenheimer Approximation; B.T. Sutcliffe. The Electron Correlation Problem; R. McWeeny. Unitary Group Approach to the Many-Electron Correlation Problem; J. Paldus. The Configuration Interaction Approach to Electron Correlation; J. Karwowski. Coupled Cluster Theory; J. Paldus. Respose and Propagator Methods; J. Oddershede. Valence Bond Theory; R. McWeeny. Molecular Properties; R. McWeeny. Calculation of Geometrical Derivatives in Molecular Electronic Structure; T. Helgaker, P. Jørgensen. Calculation of Molecular Rotation-Vibration Energies Directly from the Potential Energy Function; P. Jensen. Relativistic Electronic Structure Theory; I.P. Grant. Quantum Mechanical Scattering Theory for Chemical Reactions; W.H. Miller. 7 additional articles. Index.