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Theoretica chimica acta

, Volume 46, Issue 2, pp 89–104 | Cite as

A semiempirical model for the two-center repulsion integrals in the NDDO approximation

  • Michael J. S. Dewar
  • Walter Thiel
Original Investigations

Abstract

A self-consistent formalism is proposed for the two-center electron repulsion integrals in the NDDO approximation, based on their expansion in terms of multipole-multipole interactions and free from adjustable parameters.

Key words

Two-center repulsion integrals, NDDO approximation 

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Copyright information

© Springer-Verlag 1977

Authors and Affiliations

  • Michael J. S. Dewar
    • 1
  • Walter Thiel
    • 1
  1. 1.Department of ChemistryThe University of Texas at AustinAustinUSA

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