Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Inhaltsverzeichnis
Volume 2: Gaussian Basis Sets and Molecular Integrals (T Helgaker & P Taylor); Time Dependent Response Theory with Applications to Self Consistent Field and Multiconfiguration Self Consistent Field Wave Functions (J. Olsen & P Jorgensen); Evaluation of Bond Energies to Chemical Accuracy by Quantum Chemical Techniques (K Raghavachari & L A Curtiss); Exchange-Correlation Approximations in Density-Functional Theory (A D Becke); Coupled Cluster Theory - An Overview of Recent Developments (P J Bartlett); Pseudospectral Methods Applied to the Electron Correlation Problem (T J Martinez & E A Carter); Quasidegenerate Perturbation Theory Using Effective Hamiltonians (M Hoffmann); Analytical Derivative Techniques and the Calculation of Vibrational Spectra (P Pulay); Applications of Molecular Structure Methods to Problems in Astrochemistry (K P Kirby); The Application of Ab Initio Electronic Structure Calculations to Molecules Containing Transition Metal Atoms (C W Bauschlicher Jr et al); Studies of Electron Molecule Collisions on Massively Parallel Computers (C Winstead & V McKoy).
