title: Potential energy curves and spin-orbit coupling of light alkali-heavy rare gas molecules.
abstract: The potential energy curves of the X, A, and B states of alkali-rare gas diatomic molecules, MKr and MXe, are investigated for M = Li, Na, K. The molecular spin-orbit coefficients a(R)=<(2)Π(½)|Ĥ(SO)|(2)Π(½)> and b(R)=<(2)Π(-½)|Ĥ(SO)|(2)Σ(½)> are calculated as a function the interatomic distance R. We show that a(R) increases and b(R) decreases as R decreases. This effect becomes less and less important as the mass of the alkali increases. A comparison of the rovibrational properties deduced from our calculations with experimental measurements recorded for NaKr and NaXe shows the quality of the calculations.
authors.affiliation: CIMAP, unité mixte CEA-CNRS-ENSICAEN-UCBN 6252 BP 5133, F-14070 Caen, Cedex 05, France.
authors.forename: E
authors.initials: E
authors.lastname: Galbis
authors.forename: J
authors.initials: J
authors.lastname: Douady
authors.forename: E
authors.initials: E
authors.lastname: Jacquet
authors.forename: E
authors.initials: E
authors.lastname: Giglio
authors.forename: B
authors.initials: B
authors.lastname: Gervais