Efficient evaluation of three-center Coulomb integrals-Reference-Cited by-同舟云学术

Efficient evaluation of three-center Coulomb integrals

Published:2017-05-28 Issue:20 Volume:146 Page:204101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Samu Gyula¹,Kállay Mihály¹^ORCID

Affiliation:

1. MTA-BME Lendület Quantum Chemistry Research Group, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4983393

Reference69 articles.

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2. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

3. Coulombic potential energy integrals and approximations

4. On some approximations in applications ofXα theory

5. Robust and variational fitting

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