An accurate non-Born–Oppenheimer calculation of the first purely vibrational transition in LiH molecule
Loading...
Date
2005
Authors
Bubin, Sergiy
Adamowicz, Ludwik
Molski, Marcin
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
In this work we study the ground and the first vibrationally excited states of LiH molecule. We performed an extensive nonrelativistic variational calculations of the two states without using the Born–Oppenheimer approximation. The results are analyzed and compared with the data extracted from recent experiments. The 0←1 transition energy obtained in the calculations converged to a value which is less than a wave number above the transition energy estimated from the available experimental data concerning the LiH rovibrational transitions. We discuss the remaining discrepancy and the procedure used to determine the “experimental” transition frequencies
Description
Keywords
Research Subject Categories::NATURAL SCIENCES::Physics, LiH molecule
Citation
Sergiy Bubin, Ludwik Adamowicz, Marcin Molski; 2005; An accurate non-Born–Oppenheimer calculation of the first purely vibrational transition in LiH molecule; THE JOURNAL OF CHEMICAL PHYSICS