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Volumn 119, Issue 1, 1999, Pages 67-98

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SOFTWARE; CORRELATION METHODS; PROBABILITY DENSITY FUNCTION;

EID: 0033148229     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(98)00201-X     Document Type: Article
Times cited : (1471)

References (78)
  • 22
    • 0000359090 scopus 로고    scopus 로고
    • G. Boisvert, L.J. Lewis, M. Scheffler, Phys. Rev. B 57 (1998) 1881; G. Boisvert, L.J. Lewis, Phys. Rev. B 56 (1997) 7643.
    • (1997) Phys. Rev. B , vol.56 , pp. 7643
    • Boisvert, G.1    Lewis, L.J.2
  • 26
    • 0000967211 scopus 로고    scopus 로고
    • C. Stampfl, M. Scheffler, Phys. Rev. Lett. 78 (1997) 1500; C. Stampfl, S. Schwegmann, H. Over, M. Scheffler, G. Ertl, Phys. Rev. Lett. 77 (1996) 3371.
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1500
    • Stampfl, C.1    Scheffler, M.2
  • 31
    • 2842565972 scopus 로고    scopus 로고
    • J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54 (1996) 16533; J.P. Perdew, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671 ;
    • (1996) Phys. Rev. B , vol.54 , pp. 16533
    • Perdew, J.P.1    Burke, K.2    Wang, Y.3
  • 35
    • 4043083704 scopus 로고
    • J.P. Perdew, Phys. Rev. B 33 (1986) 8822; B 34 (1986) 7406.
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
  • 44
    • 0003565309 scopus 로고
    • H. Ehrenreich, F. Seitz, D. Turnbull, eds. Academic, New York
    • M.L. Cohen, V. Heine, in: Solid State Physics, H. Ehrenreich, F. Seitz, D. Turnbull, eds. (Academic, New York, 1970).
    • (1970) Solid State Physics
    • Cohen, M.L.1    Heine, V.2
  • 46
    • 33746848860 scopus 로고
    • J. Neugebauer, T. Zywietz, M. Scheffler, J.E. Northrup, Ch.G. Van de Walle, Phys. Rev. Lett. 80 (1998) 3097; V. Fiorentini, M. Methfessel, M. Scheffler, Phys. Rev. B 47 (1993) 13353.
    • (1993) Phys. Rev. B , vol.47 , pp. 13353
    • Fiorentini, V.1    Methfessel, M.2    Scheffler, M.3
  • 49
    • 0002440187 scopus 로고    scopus 로고
    • S. Kotochigova, Z. Levine, E. Shirley, M. Stiles, C. Clark, Phys. Rev. A 55 (1997) 191; A 56 (1997) 5191; see also the WWW URL http://math.nist.gov/DFTdata/.
    • (1997) , vol.56 , pp. 5191
  • 55
    • 33645821085 scopus 로고
    • E.P. Wigner, Phys. Rev. 46 (1934) 1002; see also R.M. Dreizler, E.K.U. Gross, Density Functional Theory (Springer, Berlin, 1990).
    • (1934) Phys. Rev. , vol.46 , pp. 1002
    • Wigner, E.P.1
  • 63
  • 64
    • 0001139472 scopus 로고
    • A.M. Rappe, K.M. Raabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41 (1990) 1227; J.S. Lin, A. Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174; G. Kresse, J. Hafner, J. Phys. Cond. Mat. 6 (1994) 824
    • (1993) Phys. Rev. B , vol.47 , pp. 4174
    • Lin, J.S.1    Qteish, A.2    Payne, M.C.3    Heine, V.4
  • 65
    • 0000824211 scopus 로고
    • A.M. Rappe, K.M. Raabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41 (1990) 1227; J.S. Lin, A. Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174; G. Kresse, J. Hafner, J. Phys. Cond. Mat. 6 (1994) 824
    • (1994) J. Phys. Cond. Mat. , vol.6 , pp. 824
    • Kresse, G.1    Hafner, J.2
  • 66
    • 0000487379 scopus 로고
    • L. Kleinman, Phys. Rev. B 21 (1980) 2630; H.S. Greenside, M. Schlüter, Phys. Rev. B 28 (1983) 535.
    • (1980) Phys. Rev. B , vol.21 , pp. 2630
    • Kleinman, L.1
  • 71
    • 0000140599 scopus 로고    scopus 로고
    • E. Engel, S. Keller, R.M. Dreizler, Phys. Rev. A 53 (1996) 1367; Phys. Rev. B 53 (1996) 4615.
    • (1996) Phys. Rev. B , vol.53 , pp. 4615
  • 73
    • 0001358577 scopus 로고
    • P.E. Blöchl, Phys. Rev. B 41 (1990) 5414; D. Vanderbilt, Phys. Rev. B 41 ( 1990) 7892; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Phys. Rev. B 47 (1993) 10142.
    • (1990) Phys. Rev. B , vol.41 , pp. 5414
    • Blöchl, P.E.1
  • 74
    • 20544463457 scopus 로고
    • P.E. Blöchl, Phys. Rev. B 41 (1990) 5414; D. Vanderbilt, Phys. Rev. B 41 ( 1990) 7892; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Phys. Rev. B 47 (1993) 10142.
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 78
    • 85031622068 scopus 로고
    • ACE/gr user's manual
    • Oregon Graduate Institute of Science and Technology, Beaverton
    • P.J. Turner, ACE/gr user's manual, in: Software Documentation Series, SDS3, 91-3 (Oregon Graduate Institute of Science and Technology, Beaverton, 1992); see also the WWW URL http://plasma-gate.weizmann.ac.il/Xmgr.
    • (1992) Software Documentation Series, SDS3 , vol.91 , Issue.3
    • Turner, P.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.