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Produktbild: Modern Electronic Structure Theory - Part II
Produktbild: Modern Electronic Structure Theory - Part II

Modern Electronic Structure Theory - Part II

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Reviews current methods of computation in electronic structure and its use in describing various aspects of physical chemistry. The book is aimed at first year graduate students, college seniors considering graduate study and researchers who want 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).

Produktdetails

Erscheinungsdatum
28. September 1995
Sprache
englisch
Seitenanzahl
784
Herausgegeben von
David R Yarkony
Produktart
kartoniert
ISBN
9789810229887

Pressestimmen

"This treatise is a pedogogically oriented collection of 22 chapters chosen to comprehensively present the quantum mechanics of electronic phenomena in molecules. It is an excellent effort to match increases in the physical understanding of chemistry with the astonishing advances in digital computer power and accessibility ... The two-volume set is a necessary addition to chemistry libraries or research group holdings." Leland C Allen J. Am. Chem. Soc., 1996

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