VARIATIONAL SOLUTION OF THE PROBLEM OF ANHARMONIC VIBRATIONS OF MOLECULES IN THE CENTRAL FORCE FIELD
L. A. Gribov1, N. I. Prokof’eva2
1Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, Russia
2State University of Civil Engineering, Moscow, Russia
Keywords: колебания молекул, теория, ангармонизм, вариационный метод, molecular vibrations, theory, anharmonism, variational method
Abstract
A variational method of the solution of anharmonic problems in the theory of molecular vibrations in curvilinear coordinates (central force) with accurate taking into account the kinematic anharmonicity is proposed. The simplicity of computational procedures provides the application of this approach to the analysis of states of large molecules.
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