Collect. Czech. Chem. Commun. 1980, 45, 2724-2727

Evaluation of pseudopotential integrals over gaussian lobe basis functions

Stanislav Biskupič and Peter Pelikán

Department of Physical Chemistry, Slovak Institute of Technology, 880 37 Bratislava


A mathematical analysis of molecular integrals of pseudopotential interactions in molecules is presented. The integrals are expressed over Gaussian lobe functions in the form suitable for computer programming.