The linear combination of vibrational wave functions (LCVW) method in a Morse-Gaussian double well molecular potential

Letelier, JR; Toro-Labbe, A

Abstract

The linear combinations of harmonic oscillator wave functions (LCWV) method is proposed to solve the Schrödinger equation, for a particle of a mass μ moving in a one dimensional double-well potential field, in which, the energy barrier has a gaussian shape. The general double well potential, whether symmetric or not, is constructed from appropriate combinations of Morse-like potentials and a Gaussian function and the problem is solved variationally, using as trial functions, linear combinations of harmonic oscillator wave functions (LCWV) centered at the two minima. The relevant matrix elements are calculated using the Harmonic Oscillator Tensor (HOT) technique. A generalization to multiple well problems is also advanced. © 2006 Springer Science+Business Media, Inc.

Más información

Título según WOS: The linear combination of vibrational wave functions (LCVW) method in a Morse-Gaussian double well molecular potential
Título según SCOPUS: The linear combination of vibrational wave functions (LCVW) method in a Morse-Gaussian double well molecular potential
Título de la Revista: JOURNAL OF MATHEMATICAL CHEMISTRY
Volumen: 39
Número: 03-abr
Editorial: Springer
Fecha de publicación: 2006
Página de inicio: 485
Página final: 494
Idioma: English
URL: http://link.springer.com/10.1007/s10910-005-9029-x
DOI:

10.1007/s10910-005-9029-x

Notas: ISI, SCOPUS