New methods in computational quantum mechanics / edited by I. Prigogine and Stuart A. Rice.

Format:

Book

Contributor:

Prigogine, I. (Ilya)

Rice, Stuart Alan, 1932-2024.

Series:

Advances in chemical physics ; v. 93.

Advances in chemical physics ; v. 93

Language:

English

Subjects (All):

Chemistry--Mathematics.

Chemistry.

Quantum chemistry.

Physical Description:

x, 813 pages : illustrations ; 24 cm.

Place of Publication:

New York : J. Wiley, [1996]

Summary:

C. Z. Wang, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa

Contents:

Quantum Monte Carlo methods in chemistry / David M. Ceperley and Lubos Mitas

Monte Carlo methods for real-time path integration / C.H. Mak and Reinhold Egger

The Redfield equation in condensed-phase quantum dynamics / W. Thomas Pollard, Anthony K. Felts and Richard A Friesner

Path-integral centroid methods in quantum statistical mechanics and dynamics / Gregory A. Voth

Multiconfigurational perturbation theory : applications in electronic spectroscopy / Björn O. Roos ... [et al.]

Electronic structure calculations for molecules containing transition metals / Per E.M. Siegbahn

The interface between electronic structure theory and reaction dynamics by reaction path methods / Michael A. Collins

Algebraic models in molecular spectroscopy / Stefano Oss

Tight-binding molecular dynamics studies of covalent systems / C.Z. Wang and K.M. Ho

Perspectives on semiempirical molecular orbital theory / Walter Thiel.

Notes:

Includes bibliographical references and indexes.

ISBN:

0471143219

OCLC:

34631124