par Sutcliffe, Brian T.
Référence International journal of quantum chemistry, 74, 6, page (681-695)
Publication Publié, 1999
Article révisé par les pairs
Résumé : Modern nonempirical calculations of the rotation-vibration spectra of small molecules often use a dipole moment surface computed from a clamped nuclei electronic structure calculation to determine the transition intensities. In this article, an attempt is made to analyze what exactly is involved in such an enterprise. © 1999 John Wiley & Sons, Inc. Int J Quant Chem 74: 681-695, 1999.