Collect. Czech. Chem. Commun.
1980, 45, 2724-2727
https://doi.org/10.1135/cccc19802724
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
Abstract
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.
