RT Journal Article
T1 Configuration localized wave functions : general formalism and applications to vibrational spectroscopy of diatomic molecules
A1 Pérez Bernal, Francisco
A1 Arias Carrasco, José Miguel
A1 Carvajal Zaera, Miguel
A1 Gómez Camacho, Joaquín
AB 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 momentumoperator and of arbitrary functions of the coordinate. The formalism is applied to three potentials of interest inmolecular physics: the harmonic oscillator, Morse, and Po¨schl-Teller potentials. Quadratures specifically designedfor each potential are used. The infrared vibrational spectrum of 12C16O is studied as a way to test theresults obtained for different potentials in connection with their ability to model the anharmonicity.
PB American Physical Society
SN 1050-2947
SN 1094-1622 (electrónico)
YR 2000
FD 2000
LK http://hdl.handle.net/10272/8131
UL http://hdl.handle.net/10272/8131
LA eng
NO Pérez Bernal, F., Arias Carrasco, J.M., Carvajal Zaera, M., Gómez Camacho, J.: "Configuration localized wave functions: General formalism and applications to vibrational spectroscopy of diatomic molecules". Physical Review A. Vol. 61, 042504 (2000). ISSN 1050-2947
DS Repositorio Institucional de la Universidad de Huelva
RD 2 jun 2026