A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO 
Approximation

Dewar, Michael J. S.; Thiel, Walter

doi:10.1007/BF00548085

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A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation

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Citation

Dewar, M. J. S., & Thiel, W. (1977). A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation. Theoretica Chimica Acta, 46(2), 89-104. doi:10.1007/BF00548085.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0029-07A5-6

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.