CARVAJAL ZAERA , Miguel

El propósito de esta tesis es utilizar dos métodos analíticos para la descripción vibracional de moléculas, que incluyen la naturaleza anarmónica de los sistemas moleculares tanto en el análisis del espectro vibracional como en el de las intensidades de transición.Los dos métodos que se presentan tienen una base matemática y aplicaciones...

The bound states of a Morse potential are described in terms of a basis of states that are characterized for being eigenstates of the Morse variable. These states are strongly localized in configuration space; thus they are called configuration localized Morse (CLM) wave functions. These are shown to provide a powerful tool to calculate...

The problem of calculating Franck-Condon overlap integrals in molecular transitions between vibrational states in different electronic configurations is addressed. An exact and easily applicable analytical expression is obtained when the vibrational states can be approximated by eigenstates of Morse potentials with different strengths and...

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...