QUANTUM WAVEPACKET DYNAMICS ON THE BH 1-SIGMA+ STATES

Citation
J. Broeckhove et al., QUANTUM WAVEPACKET DYNAMICS ON THE BH 1-SIGMA+ STATES, Journal of physics. B, Atomic molecular and optical physics, 26(23), 1993, pp. 4471-4482
Citations number
33
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
26
Issue
23
Year of publication
1993
Pages
4471 - 4482
Database
ISI
SICI code
0953-4075(1993)26:23<4471:QWDOTB>2.0.ZU;2-F
Abstract
We investigate the dynamics of the ground state and the first three si nglet 1SIGMA+ excited states of BH using the split-operator method. Ab initio calculations show that these states have strong non-adiabatic couplings, resulting in a complex topology of avoided crossing regions and double well potentials. We attempt to find a method to populate t he second minimum of B 1SIGMA+ enabling experimental observation of it s vibrational states.