Ab Initio Study of the Electronic Spectrum of B2H2
The present paper represents the first part of an extensive theoretical study on the electronic spectrum of B2H2. The results of ab initio calculations of the vertical spectrum and the trans- and cis-bending potential curves for the low-lying triplet and singlet electronic states are reported. Special attention is paid to the study of the interaction between valence- and Rydberg-type electronic species. Copyright 1997Academic Press
Peric
M
Institut fur Physikalische und Theoretische Chemie, Universitat Bonn, Wegelerstrasse 12, Bonn, D-53115, Germany
Ostojic
B
Engels
B