Evaluation of multicenter nuclear attraction integrals by the use of translation formula for Slater type orbitals

Gumus S., Ozdogan T.

COMMUNICATIONS IN THEORETICAL PHYSICS, vol.39, no.6, pp.701-704, 2003 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 39 Issue: 6
  • Publication Date: 2003
  • Journal Name: COMMUNICATIONS IN THEORETICAL PHYSICS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.701-704
  • Keywords: nuclear attraction integrals, overlap integrals, Slater type orbitals, MULTIELECTRON MOLECULAR INTEGRALS, CENTER EXPANSION METHOD, ONE-ELECTRON INTEGRALS, OVERLAP INTEGRALS, AUXILIARY FUNCTIONS, RECURRENCE RELATIONS, 2-CENTER INTEGRALS, COMPUTATION, STOS, INTEGER
  • Ondokuz Mayıs University Affiliated: No

Abstract

By the use of translation formula for Slater type orbitals (STOs), three-center nuclear attraction integrals are represented in terms of two-center overlap and nuclear attraction integrals. The computing results for the formula presented here has been tested under wide changes in molecular parameters and good convergence has been obtained with the prior literature.