Analytical evaluation of molecular electronic integrals using Poisson's equation: Exponential-type orbitals and atom pairs
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference18 articles.
1. The Poisson equation in density fitting for the Kohn-Sham Coulomb problem
2. Analytical method for the representation of atoms-in-molecules densities
3. A Study of Two‐Center Integrals Useful in Calculations on Molecular Structure. I
4. (d) ; , Eds. International Conference on ETO Multicenter Inegrals, Tallahassee, FL, 1981; Reidel: Dordrecht, the Netherlands; 1982;
5. In memory of Herbert W. Jones (1927-2002)
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