A Tabulation of General Formulas for Inverse Kinetic Energy Matrix Elements in Acyclic Molecules

Abstract

In terms of internal coordinates of the bond stretching and bending type, together with a torsional type of coordinate, general formulas for inverse kinetic energy matrix elements have been computed for all 33 possible acyclic configurations involving the given types of coordinates. Tabulations are given both for the general case and for three special cases in which all valence angles of the configuration are assumed to be 90°, 109°28′, and 120°, respectively.