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Volumn 122, Issue 13, 2005, Pages

Linear scaling computation of the Fock matrix. VII. Periodic density functional theory at the Γ point

Author keywords

[No Author keywords available]

Indexed keywords

LINEAR SCALING CONSTRUCTION; LINEAR SCALING QUANTUM CHEMICAL METHODS; NUMERICAL INTEGRATION; TREE-CODE ALGORITHM;

EID: 24144432273     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1853374     Document Type: Article
Times cited : (14)

References (54)
  • 4
    • 84861243691 scopus 로고    scopus 로고
    • T. Helgaker, H. Jensen, P. Jorgensen, DALTON, a molecular electronic structure program, Release 1.2, 2001, URL http://www.kjemi.uio.no/software/ dalton/dalton.html
    • (2001)
    • Helgaker, T.1    Jensen, H.2    Jorgensen, P.3
  • 26
    • 84861243692 scopus 로고    scopus 로고
    • M. Challacombe, E. Schwegler, C. J. Tymczak, C. K. Gan, K. Nemeth, V. Weber, A. M. N. Niklasson, and G. Henkelman, MONDOSCF v1.0α9, A program suite for massively parallel, linear scaling SCF theory and ab initio molecular dynamics, 2001, URL http://www.t12.lanl.gov/home/mchalla/; Los Alamos National Laboratory Report No. LA-CC 01-2 (unpublished), Copyright University of California.
    • (2001)
    • Challacombe, M.1    Schwegler, E.2    Tymczak, C.J.3    Gan, C.K.4    Nemeth, K.5    Weber, V.6    Niklasson, A.M.N.7    Henkelman, G.8
  • 27
    • 33645630316 scopus 로고    scopus 로고
    • (unpublished), Copyright University of California.
    • M. Challacombe, E. Schwegler, C. J. Tymczak, C. K. Gan, K. Nemeth, V. Weber, A. M. N. Niklasson, and G. Henkelman, MONDOSCF v1.0α9, A program suite for massively parallel, linear scaling SCF theory and ab initio molecular dynamics, 2001, URL http://www.t12.lanl.gov/home/mchalla/; Los Alamos National Laboratory Report No. LA-CC 01-2 (unpublished), Copyright University of California.
    • Los Alamos National Laboratory Report No. LA-CC 01-2 , vol.LA-CC 01-2
  • 30
    • 84861249155 scopus 로고    scopus 로고
    • M. Towler, CRYSTAL98 Basis Sets, http://www.tcm.phy.cam.ac.uk/∼mdt26/ crystal.html (1998).
    • (1998) Basis Sets
    • Towler, M.1
  • 32
    • 84861251696 scopus 로고    scopus 로고
    • M. Gomez, Simple Intersection Tests for Games (1999), URL http://www.gamasutra.com/
    • (1999)
    • Gomez, M.1
  • 42
    • 0003600912 scopus 로고
    • edited by A. S.Glassner (Academic, New York
    • Graphics Gems, edited by, A. S. Glassner, (Academic, New York, 1990).
    • (1990) Graphics Gems
  • 43
    • 84861243689 scopus 로고    scopus 로고
    • PGF90 V4.2
    • The Portland Group, PGF90 V4.2 (2002), URL http://www.pgroup.com/
    • (2002)
  • 44
    • 84861251695 scopus 로고    scopus 로고
    • REDHAT V9.0
    • Redhat, REDHAT V9.0, http://www.redhat.com/ (2004).
    • (2004)
  • 54
    • 0004245694 scopus 로고
    • edited by M.Abramowitz and I. A.Stegun, 9th ed. (Dover, New York
    • Handbook of Mathematical Functions, edited by, M. Abramowitz, and, I. A. Stegun, 9th ed. (Dover, New York, 1987).
    • (1987) Handbook of Mathematical Functions


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.