Artículo
Configuration localized wave functions: General formalism and applications to vibrational spectroscopy of diatomic molecules
Autor/es | Pérez Bernal, Francisco
Arias Carrasco, José Miguel Carvajal Zaera, Miguel Gómez Camacho, Joaquín José |
Departamento | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Fecha de publicación | 2000 |
Fecha de depósito | 2019-04-03 |
Publicado en |
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Resumen | A general formalism for constructing configuration localized states for one-dimensional potentials is presented. It allows the evaluation of accurate approximations to the vibrational matrix elements of the momentum operator ... A general formalism for constructing configuration localized states for one-dimensional potentials is presented. It allows the evaluation of accurate approximations to the vibrational matrix elements of the momentum operator and of arbitrary functions of the coordinate. The formalism is applied to three potentials of interest in molecular physics: the harmonic oscillator, Morse, and Pöschl-Teller potentials. Quadratures specifically designed for each potential are used. The infrared vibrational spectrum of [Formula Presented] is studied as a way to test the results obtained for different potentials in connection with their ability to model the anharmonicity. |
Cita | Pérez Bernal, F., Arias Carrasco, J.M., Carvajal Zaera, M. y Gómez Camacho, J.J. (2000). Configuration localized wave functions: General formalism and applications to vibrational spectroscopy of diatomic molecules. Physical Review A - Atomic, Molecular, and Optical Physics, 61 (4), 042504-. |
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