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Volumn 68, Issue 24, 2003, Pages

Alternative separation of exchange and correlation in density-functional theory

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELEMENTARY PARTICLE; ENERGY; MATHEMATICAL ANALYSIS; SCREENING;

EID: 1042299856     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.245120     Document Type: Article
Times cited : (12)

References (27)
  • 3
    • 85038981848 scopus 로고    scopus 로고
    • x were thoroughly discussed in Ref. 3
    • x were thoroughly discussed in Ref. 3,
  • 10
    • 85039030540 scopus 로고    scopus 로고
    • 2 are integer. Details on this parameter are found in Ref. 3
    • 2 are integer. Details on this parameter are found in Ref. 3.
  • 11
    • 85038993173 scopus 로고    scopus 로고
    • Y → 0 in the end result. Clarifications are found in Ref. 10
    • Y → 0 in the end result. Clarifications are found in Ref. 10.
  • 22
    • 85038983438 scopus 로고    scopus 로고
    • 1 = 0.093 840 6 (a.u.)
    • 1 = 0.093 840 6 (a.u.).
  • 24
    • 85038996748 scopus 로고    scopus 로고
    • 2 coefficient of YLDA2 is 0. 00151 (a.u.), which is closer to the exact value than PW (Ref. 11)
    • 2 coefficient of YLDA2 is 0. 00151 (a.u.), which is closer to the exact value than PW (Ref. 11).
  • 26
    • 85038984126 scopus 로고    scopus 로고
    • For the Si calculations we used the software SOCORRO, developed at Sandia National Laboratories. Norm-conserving Don Hamann LDA pseudopotential was used
    • For the Si calculations we used the software SOCORRO, developed at Sandia National Laboratories. Norm-conserving Don Hamann LDA pseudopotential was used;


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.