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Asymptotic theory for the (2)Sigma(u) Van der Waals potentials of alkali dimer cations

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Title Asymptotic theory for the (2)Sigma(u) Van der Waals potentials of alkali dimer cations
 
Creator JOHANN, C
PATIL, SH
TANG, KT
TOENNIES, JP
 
Subject heitler-london theory
exchange energy
chemical-bond
polarizabilities
states
dipole
atom
ions
li2+
 
Description The (2)Sigma(u) state Van der Waals potentials of alkali dimer cations Li-2(+), Na-2(+), K-2(+), Rb-2(+) and Cs-2(+) are calculated from the asymptotic exchange and polarization energies. The potentials of all these systems are generated by the same analytical formula with parameters depending only on the properties of the atomic constituents. The results agree with accurate CI calculations. The dipole-dipole-quadrupole hyperpolarizability for these systems is large and it is necessary to include this third-order term in the polarization energy for an accurate determination of the potential. However, the overlap correction and the damping of the induction series, although conceptually important, have only a minor effect. (C) 1998 .
 
Publisher ELSEVIER SCIENCE BV
 
Date 2011-07-24T10:42:02Z
2011-12-26T12:51:54Z
2011-12-27T05:38:41Z
2011-07-24T10:42:02Z
2011-12-26T12:51:54Z
2011-12-27T05:38:41Z
1998
 
Type Article
 
Identifier CHEMICAL PHYSICS LETTERS, 295(1-2), 158-166
0009-2614
http://dx.doi.org/10.1016/S0009-2614(98)00918-X
http://dspace.library.iitb.ac.in/xmlui/handle/10054/6399
http://hdl.handle.net/10054/6399
 
Language en