消息
loading
Separation of variables and search algorithm for internal rotation coordinates and kinematic coefficients in the theory of nuclear motions in polyatomic molecules

Author: Gribov L.   Mikhailov I.  

Publisher: Springer Publishing Company

ISSN: 0022-4766

Source: Journal of Structural Chemistry, Vol.48, Iss.1, 2007-01, pp. : 161-165

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

The construction algorithm is proposed for the internal rotation coordinates in polyatomic molecules. It is based on the properties of the matrix of kinematic coefficients when an excessive system of natural coordinates is introduced. The approximations providing the separation of variables are considered. The exact form of the kinetic energy operator is given.