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Ab Initio Methods in Quantum Chemistry, Part I, Volume 67

Ab Initio Methods in Quantum Chemistry, Part I, Volume 67

K. P. Lawley (Editor)

ISBN: 978-0-470-14293-6

Mar 2007

566 pages

Select type: Wiley Online 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.
Excited-State Potentials (P. Bruna and S. Peyerimhoff).

Molecular Property Derivatives (R. Amos).

Transition Structure Computations and their Analysis (F. Bernardi and M. Robb).

Optimization of Equilibruim Geometries and Transition Structures (H. Schlegel).

Relativistic Quantum Chemistry (K. Balasubramanian and K. Pitzer).

Effective Hamiltonians and Pseudo-Operators as Tools for Rigorous Modelling (P. Durand and J. Malrieu).

Molecular Calculations with the Density Functional Formalism (R. Jones).

Basis Sets (S. Wilson).

The Coupled Pair Approximation (R. Ahlrichs and P. Scharf).

Index.