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Volumn 127, Issue 16, 2007, Pages

Ultrasoft pseudopotentials in time-dependent density-functional theory

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; ALGORITHMS; FULLERENES; HAMILTONIANS; LIGHT ABSORPTION; REAL TIME SYSTEMS;

EID: 36048949244     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2786999     Document Type: Article
Times cited : (79)

References (32)
  • 15
    • 18744378855 scopus 로고    scopus 로고
    • R. A. Friesner, Roc. Natl. Acad. Sci. U.S.A. 102, 6648 (2005).
    • R. A. Friesner, Roc. Natl. Acad. Sci. U.S.A. 102, 6648 (2005).
  • 28
    • 36048970891 scopus 로고    scopus 로고
    • Z. Bai and D. Day, in Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide, edited by J. Bai, J. Demmel, J. Dongarra, A. Ruhe, and H. van der Vorst (SIAM, Philadelphia, 2000), Sec. 7.9, see also www.cs.utk.edu/dongarra/etemplates/node251.html.
    • Z. Bai and D. Day, in Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide, edited by J. Bai, J. Demmel, J. Dongarra, A. Ruhe, and H. van der Vorst (SIAM, Philadelphia, 2000), Sec. 7.9, see also www.cs.utk.edu/dongarra/etemplates/node251.html.
  • 29
    • 36048973716 scopus 로고    scopus 로고
    • S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, and A. Kokalj, http:// www.pwscf.org/, http://www.quantum-espresso.org/.
    • S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, and A. Kokalj, http:// www.pwscf.org/, http://www.quantum-espresso.org/.
  • 30
    • 36048963127 scopus 로고    scopus 로고
    • Pseudopotentials taken from PWscf library, available online at http:// www.pwscf.org/pseudo.html. Files used: NCPP: Cpz-vbc.UPF; USPP: C.pz-rrkjus.UPF.
    • Pseudopotentials taken from PWscf library, available online at http:// www.pwscf.org/pseudo.html. Files used: NCPP: "Cpz-vbc.UPF"; USPP: "C.pz-rrkjus.UPF."


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.