INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
capítulos de libros
Título:
Nonadiabatic Calculation of Dipole Moments
Autor/es:
FRANCISCO M. FERNÁNDEZ; JULIÁN ECHAVE
Libro:
Computational Spectroscopy
Editorial:
Wiley-VCH
Referencias:
Lugar: Weinheim; Año: 2010; p. 173 - 199
Resumen:
The purpose of this chapter is to outline the calculation of molecular dipole moments by means of quantum mechanical approaches and to compare such theoretical results with corresponding experimental measurements. It is not in tended to be exhaustive because of the enormous number of worthy works on the subject. However, we hope to succeed in giving an idea of the difficulties encountered in such an endeavor.
