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Path‐integral renormalization group treatments for many‐electron systems with long‐range repulsive interactions
Author(s) -
Kojo Masashi,
Hirose Kikuji
Publication year - 2008
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.2832
Subject(s) - path integral formulation , fock space , electron , density matrix renormalization group , coulomb , range (aeronautics) , matrix (chemical analysis) , renormalization , renormalization group , function (biology) , path (computing) , mathematics , physics , quantum mechanics , statistical physics , computer science , quantum , chemistry , engineering , chromatography , evolutionary biology , biology , programming language , aerospace engineering
We derive a practical algorithm to study many‐electron systems based on the path‐integral renormalization group (PIRG) method within the framework of the real‐space finite‐difference (RSFD) approach. The PIRG method, originally developed for investigating strongly correlated electron systems, has been successfully applied to some models such as Hubbard models. However, to apply this method to more realistic systems of electrons with long‐range Coulomb interactions in the RSFD approach, the one‐body Green's function, which requires large computational resources, must be removed. For the same reason, an efficient algorithm for computing the Fock matrix is needed. The newly proposed algorithm is free of the one‐body Green's function and enables us to compute the Fock matrix efficiently. Our result shows a significant reduction in CPU time and the possibility of using the present algorithm as a practical numerical tool. Copyright © 2008 John Wiley & Sons, Ltd.