PSEUDOPOTENTIAL CALCULATIONS FOR THE POTENTIAL ENERGIES OF LIHE AND BAHE

Authors
CZUCHAJ E REBENTROST F STOLL H PREUSS H
Citation
E. Czuchaj et al., PSEUDOPOTENTIAL CALCULATIONS FOR THE POTENTIAL ENERGIES OF LIHE AND BAHE, Chemical physics, 196(1-2), 1995, pp. 37-46
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics → ACNP
ISSN journal
03010104
Volume
196
Issue
1-2
Year of publication
1995
Pages
37 - 46
Database
ISI
SICI code
0301-0104(1995)196:1-2<37:PCFTPE>2.0.ZU;2-4
Abstract
Non-local l-dependent pseudopotentials have been used in valence ab in itio calculations for the potential energy curves and dipole transitio n moments of the LiHe and BaHe systems. The spin-orbit coupling for Ba He has been determined approximately following the 'atoms-in-molecules ' model. The results are discussed in the context of recent experiment al findings.