Collect. Czech. Chem. Commun. 1995, 60, 161-171

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


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.