Theoretical calculations of excited rovibrational levels of HD. Term values and transition probabilities of VUV electronic bands

Laboratoire Univers et Théorie, UMR 8102 du CNRS, Observatoire de Paris, Section de Meudon, Place Jules Janssen, 92195 Meudon, France e-mail: Evelyne.Roueff@obspm.fr

Received: 24 June 2005
Accepted: 12 July 2005

Abstract

In this paper, we derive the theoretical properties of rovibrational levels belonging to excited B, C, B', and D electronic states of HD. We compute the eigenvalues and eigenfunctions of the nuclear coupled Schroedinger equations using ab initio electronic molecular properties available in the literature. Transition wavenumbers and spontaneous emission probabilities are calculated for all transitions belonging to B-X, C-X, B'-X, and D-X electronic band systems of HD when the upper rotational quantum number is below or equal to 10. We compare our results with available experimental values: the accuracy in the wavenumbers is on the order of 3 reciprocal centimetres, whereas the intensity properties are satisfactorily reproduced. The origin of the remaining discrepancies is analyzed.