메뉴 건너뛰기




Volumn 118, Issue 21, 2003, Pages 9504-9518

Asymptotic behavior of the exchange-correlation potentials from the linear-response Sham-Schlüter equation

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ASYMPTOTIC STABILITY; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

EID: 0037665262     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1566739     Document Type: Article
Times cited : (51)

References (60)
  • 32
    • 0037794562 scopus 로고    scopus 로고
    • note
    • σ(r,r′;ω) is spin-diagonal. This is not restrictive as long as we linearize the Sham-Schlüter equation in the framework of the collinear spin-density functional theory.
  • 33
    • 0038132269 scopus 로고    scopus 로고
    • note
    • Unless specified, the symbol "Σ" includes both a sum over a discrete spectrum and an integral over a continuum of states, which we do not treat separately for the sake of notational simplicity (as long as the latter does not require special care).
  • 42
    • 0038809149 scopus 로고    scopus 로고
    • note
    • RPA(ω).
  • 51
    • 0038471355 scopus 로고    scopus 로고
    • note
    • xc has no poles at the occupied KS energies.
  • 52
    • 0038471357 scopus 로고    scopus 로고
    • note
    • snσ(r)'s as defined in Sec. III C.
  • 57
    • 0038132270 scopus 로고    scopus 로고
    • note
    • (c)(r) have different analytical properties, although their functional forms are similar (see Appendix A and note 54). For the sake of simplicity, we restrict ourselves to the (practically) relevant case of a system with a discrete spectrum (e.g., a finite system with hard-wall or periodic boundary conditions, or a finite basis set implementation of the OEP equation).
  • 58
    • 0038471356 scopus 로고    scopus 로고
    • note
    • (b)(r), we put the system in a box of volume Ω with hard-wall or periodic boundary conditions, solve Eq. (75) for the potential then take the limit Ω → ∞ (see Appendix B).
  • 60
    • 0038809150 scopus 로고    scopus 로고
    • note
    • (a)(r)] has nonvanishing integral (due to this Cauchy's principal value). This condition is still satisfied however for the class of functionals defined in Sec. II B.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.