Short communication, Note

A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method

E. Zakrajšek ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia
B. Borštnik ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia
A. Ažman ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia

Abstract

This reduction was interpreted as a readjustment of cr electrons which then »screen« the Coulomb interaction. A similar correction has been applied to the two-,center integral by Pariser and Parr~ with the polynomial interpolation formula or with-. a form suggested by Nishimoto and Mataga

Keywords

Hrčak ID:

197316

URI

https://hrcak.srce.hr/197316

Publication date:

15.11.1971.

Visits: 554 *