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Ab Initio Methods in Quantum Chemistry, Part II, Volume 69

Ab Initio Methods in Quantum Chemistry, Part II, Volume 69

K. P. Lawley (Editor)

ISBN: 978-0-470-14294-3

Mar 2007

598 pages

Select type: O-Book

Description

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Matrix Formulated Direct Multiconfiguration Self-Consistent Field and Multiconfiguration Reference Configuration-Interaction Methods (H. J. Werner).

The Multifiguration Self-Consistent Field Method (R. Shepard).

Propagator Methods (J. Oddershede).

Analytical Derivative Methods in Quantum Chemistry (P. Pulay).

Symmetry and Degeneracy in X and Density Functional Theory (B. I. Dunlap).

Modern Valence Bond Theory (J. Gerratt, D. Cooper and M. Raimondi).

The Complete Active Space Self-Consistent Field Method and Its Applications in Electronic Structure Calculations (B. O. Roos).

Transition-Metal Atoms and Dimers (D. R. Salahub).

Weakly-Bonded Systems (J. H. van Lenthe, J. G.

C.

M.

van Duijneveldt-van de Ridjt and F.B.

van Duijneveldt).

Index.