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Volumn 59, Issue 19, 1999, Pages 12173-12176

Corrected penalty-functional method for linear-scaling calculations within density-functional theory

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000732660     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.12173     Document Type: Article
Times cited : (47)

References (32)
  • 21
    • 85037889137 scopus 로고    scopus 로고
    • The penalty functional is minimal for all idempotent DM’s (which can describe both ground and excited states of the fictitious KS system) but in a fully self-consistent calculation, the total functional is only minimal for ground states, only one of which obeys Eq. (3)
    • The penalty functional is minimal for all idempotent DM’s (which can describe both ground and excited states of the fictitious KS system) but in a fully self-consistent calculation, the total functional is only minimal for ground states, only one of which obeys Eq. (3).
  • 24
    • 85037878104 scopus 로고    scopus 로고
    • Rev. Mod. Phys. (to be published)
    • S. Goedecker, Rev. Mod. Phys. (to be published);
    • Goedecker, S.1
  • 25
    • 85037884350 scopus 로고    scopus 로고
    • (unpublished)
    • cond-mat/9806073(unpublished).
  • 29
    • 11944256577 scopus 로고
    • is available from Molecular Simulations
    • M. C. Payne, Rev. Mod. Phys.64, 1045 (1992). CASTEP is available from Molecular Simulations.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
    • Payne, M.C.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.