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Fast Hartree–Fock theory using local density fitting approximations

Published:2004-11-10 Issue:21-22 Volume:102 Page:2311-2321
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Polly Robert,Werner * Hans-Joachim,Manby Frederick R.,Knowles Peter J.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/0026897042000274801

Reference27 articles.

1. Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations

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

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