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Titolo:
Multiscale recursion in dense hydrogen plasmas
Autore:
Bagnier, S; Dallot, P; Zerah, G;
Indirizzi:
Commissariat Energia Atom, F-91680 Bruyeres Le Chatel, France CommissariatEnergia Atom Bruyeres Le Chatel France F-91680 atel, France
Titolo Testata:
PHYSICAL REVIEW E
fascicolo: 6, volume: 61, anno: 2000,
parte:, B
pagine: 6999 - 7008
SICI:
1063-651X(200006)61:6<6999:MRIDHP>2.0.ZU;2-8
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRONIC-STRUCTURE CALCULATIONS; FERMI MOLECULAR-DYNAMICS; BRILLOUIN ZONE; EQUATION; MODELS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Bagnier, S Commissariat Energia Atom, BP 12, F-91680 Bruyeres Le Chatel, France Commissariat Energia Atom BP 12 Bruyeres Le Chatel France F-91680
Citazione:
S. Bagnier et al., "Multiscale recursion in dense hydrogen plasmas", PHYS REV E, 61(6), 2000, pp. 6999-7008

Abstract

We present and assess a multiscale recursion method to calculate electronic density via the Green's function. The method lies within the framework offinite temperature density functional theory and uses a real space approach. It provides a satisfactory description of the first Brillouin zone without invoking k points. Unlike methods that explicitly calculate eigenstates,the computational workload decreases with temperature. Tests are performedon a system representing a hydrogen plasma with a local pseudopotential. Calculations are distributed on real space grids with different spacings using scaling properties of the recursion. The computational workload increases linearly with the size of the system and can be productively dispatched on an arbitrarily large number of processors.

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Documento generato il 11/08/20 alle ore 15:49:15