Abstract: | A method of variational solution of anharmonic vibration problems using a mixed Morse—anharmonic basis is proposed. The basis
functions are the products of the Morse oscillator eigenfunctions for vibrations of peripheral bonds, the harmonic oscillator
eigenfunctions for almost harmonic skeletal and deformation vibrations, and the anharmonic basis functions for essentially
anharmonic skeletal and deformation vibrations. The anharmonic basis wave functions are taken as a linear combination of the
Morse and harmonic oscillator eigenfunctions. The introduction of the combined Morse—anharmonic functions allows one to factorize
the solution of a problem into a series of individual blocks according to the fragmentary structure of molecules.
Volgograd Pedagogical University. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 2, pp. 231–238, March–April, 1995.
Translated by I. Izvekova |