Collect. Czech. Chem. Commun. 1995, 60, 161-171
https://doi.org/10.1135/cccc19950161

A Comparative Study of the Variable Screening and Hartree-Fock Models as Means for the Construction of Two-Center Correlation Diagrams

Jan Lörinčíka, Rudolf Poláka, Zdeněk Šroubekb and Ivana Paidarováa

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
b The Institute of Radioelectronics, Academy of Sciences of the Czech Republic, 182 51 Prague 8, Czech Republic

Abstract

The aim of this work is to test the Variable Screening Model (VSM) [Wille U., Hippler R.: Phys. Rep. 132, 129 (1986)] as a method for computing correlation diagrams of neutral and ionized diatomic quasimolecules by comparing the results with corresponding Hartree-Fock calculations, and to elucidate the specific features of both aforementioned approaches in applications to given purpose. These calculations serve as the first step in the interpretation of inner-shell vacancy production in low-velocity ion-atom collisions inside bombarded solids.