Energy transfer to an anharmonic diatomic system

被引:3
作者
Recamier, Jose [1 ]
Mochan, W. Luis [1 ]
机构
[1] Univ Nacl Autonoma Mexico, Inst Ciencias Fis, Cuernavaca 62251, Morelos, Mexico
关键词
ab initio; electronic structure; quantum chemistry; computational chemistry; FORCED MORSE OSCILLATOR; COLLINEAR COLLISION; MATRIX-ELEMENTS; ATOM; APPROXIMATION; MOLECULES; OPERATOR; MODEL;
D O I
10.1080/00268970902942268
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We model an anharmonic diatomic molecule using deformed creation and annihilation operators such that the energy spectrum generated by a Hamiltonian of the harmonic oscillator's form written in terms of deformed operators is similar to that of a Morse potential. We construct an approximate time evolution operator and evaluate transition probabilities which are compared with those obtained by an expansion in a basis of Morse eigenfunctions. The algebraic results compare favorably with the numerical results.
引用
收藏
页码:1467 / 1472
页数:6
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