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Journal of Structural Chemistry

2010 year, number 2

ANHARMONIC PROBLEM WITHOUT THE ANHARMONIC POTENTIAL

L. A. Gribov
Keywords: anharmonism, energy matrix, electronic vibrational functions
Pages: 379-382

Abstract

Anharmonic effects are shown to be obtained immediately in the statement of a quantum problem as a general electronic vibrational problem in the matrix formulation and without the use of a traditional anharmonic potential. The methods to form the matrix and to calculate all matrix elements are presented.