Calculation and characterization of molecular potential energy surfaces
By: editor, Thom H. Dunning, Jr.
Contributors: Dunning, Thom H.
Series: Advances in molecular electronic structure theory -- v. 1.
Publisher: JAI Press
Published: 1990
Place of publication: Greenwich, Conn
Language: eng
Number of pages: 266
Subjects: Molecular structure; Molecular dynamics
Notes: Includes index.

Includes bibliographical references.
Table of contents: title: Analytical representation and vibrational-rotational analysis of ab initio potential energy and property surfaces / Walter C. Ermler and Hsiuchin C. Hsieh; title: Calculation of potential energy surfaces / Lawrence B. Harding; title: The analytical representation of potential energy surfaces for chemical reactions / George C. Schatz; title: Characterization of molecular potential energy surfaces: critical points, reaction paths, and reaction valleys / Elfi Kraka and Thom H. Dunning, Jr.; title: Long-range and weak interaction surfaces / Clifford E. Dykstra; title: The Von Neumann-Wigner and Jahn-Teller theorems and their consequences / Regina F. Frey and Ernest R. Davidson.