메뉴 건너뛰기




Volumn 6, Issue 11, 2010, Pages 3319-3329

Investigation of self-interaction corrections for an exactly solvable model system: Orbital dependence and electron localization

Author keywords

[No Author keywords available]

Indexed keywords


EID: 78149450527     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct100352r     Document Type: Article
Times cited : (15)

References (51)
  • 8
    • 78149442947 scopus 로고    scopus 로고
    • The exact exchange energy of one electron exactly cancels its Hartree energy, so that the Hartree + exchange energy of methods employing exact exchange is self-interaction free, but the correlation energy remains subject to self-interaction even in methods employing exact exchange.
    • The exact exchange energy of one electron exactly cancels its Hartree energy, so that the Hartree + exchange energy of methods employing exact exchange is self-interaction free, but the correlation energy remains subject to self-interaction even in methods employing exact exchange.
  • 45
    • 78149455483 scopus 로고    scopus 로고
    • By exact LDA, we mean that there is no need for analytical interpolations such as the PZ81, VWN, or PW92 forms of the ab initio LDA, because the energy of the homogeneous reference system can be calculated numerically exactly for arbitrary densities.
    • By exact LDA, we mean that there is no need for analytical interpolations such as the PZ81, VWN, or PW92 forms of the ab initio LDA, because the energy of the homogeneous reference system can be calculated numerically exactly for arbitrary densities.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.