Calculation of alkali-metal dimers on the basis of a model perturbation theory.

Autor: Glushkov, A., Efimov, V., Gopchenko, E., Dan’kov, S., Polishchuk, V., Shpinareva, I.
Zdroj: Russian Physics Journal; May1998, Vol. 41 Issue 5, p492-498, 7p
Abstrakt: On the basis of pseudopotential theory, within the framework of a formally accurate model perturbation theory of Rayleigh—Schrödinger type with a zero-approximation inoculating potential, the calculation of some diatomic alkali molecules in homo- and heteronuclear variants LiM (M = Li, Na, K, Rb, Cs, Fr) is considered. A local model potential of Gell-Mann type is adopted as the zero-approximation potential. The calculation results for the energy parameters — in particular, the energy of dissociation — are given; some of these results are obtained here for the first time. The calculation demonstrates the fundamental role of two basic second-order perturbation-theory effects in achieving acceptable accuracy: polarizational interaction of the valence particles through the core; and mutual screening of these particles. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index