Filters
Results 1 - 1 of 1
Results 1 - 1 of 1.
Search took: 0.026 seconds
AbstractAbstract
[en] Ab initio CASSCF/MRCI calculations have been performed for the molecule LaCl, for 11 molecular states in the representation 2S+1Λ(+/-) (neglecting spin-orbit effects). The corresponding 25 molecular states in the representation Ω(+/-) (including spin-orbit effects) have been subsequently determined using a semi-empirical spin-orbit pseudopotential built up for lanthanum. Calculated potential energy curves and spectroscopic constants are reported, to the best of our knowledge they are the first ones for excited states of this molecule. Comparison of present data with experimental results available in literature show a good agreement
Primary Subject
Source
S0301010403006839; Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Country of publication
Reference NumberReference Number
INIS VolumeINIS Volume
INIS IssueINIS Issue