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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


Puni tekst: engleski pdf 2.163 Kb

str. 189-192

preuzimanja: 196

citiraj


Sažetak

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

Ključne riječi

Hrčak ID:

197316

URI

https://hrcak.srce.hr/197316

Posjeta: 357 *