Molecular Potential Energy Functions

by J.N. Murrell, S. Carter, S.C. Farantos

A series of papers describing advances made in recent years in obtaining explicit functions for the potential energy surfaces of small polyatomic molecules. Employs techniques drawn from quantum chemistry, molecular dynamics, gas kinetics, and vibrational spectroscopy in developing the functions required for studying the rates of simple chemical reactions, molecular beam scattering cross sections, and vibrational and rotational spectroscopy. Emphasizes the general features that potential energy functions should possess rather than the particular functions.

Hardcover

First published February 19, 1985