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pro vyhledávání: '"Weber, Valéry T."'
A translationally invariant formulation of the Hartree-Fock (HF) $\Gamma$-point approximation is presented. This formulation is achieved through introduction of the Minimum Image Convention (MIC) at the level of primitive two-electron integrals, and
Externí odkaz:
http://arxiv.org/abs/cond-mat/0405500
Publikováno v:
Journal of Chemical Physics; 3/22/2005, Vol. 122 Issue 12, p124105, 6p, 4 Charts, 3 Graphs
Autor:
Tymczak CJ; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA., Weber VT, Schwegler E, Challacombe M
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2005 Mar 22; Vol. 122 (12), pp. 124105.