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Energy transfer to an anharmonic diatomic system
Authors:José Récamier  W. Luis Mochán
Affiliation:1. Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México , Apdo. Postal 48-3, Cuernavaca, Morelos 62251, México pepe@fis.unam.mx;3. Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México , Apdo. Postal 48-3, Cuernavaca, Morelos 62251, México
Abstract: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.
Keywords:ab initio  electronic structure  quantum chemistry  computational chemistry
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