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Volumn 135, Issue 15, 2011, Pages

Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL APPLICATIONS; FUNCTIONALS; HARTREE-FOCK EXCHANGES; LARGE EFFECTIVE; ORBITAL INSTABILITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT; TRIPLET ENERGY; TRIPLET STATE;

EID: 80155157793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3656734     Document Type: Article
Times cited : (133)

References (34)
  • 12
  • 19
    • 0039412605 scopus 로고
    • 10.1103/PhysRev.127.1650
    • W. H. Adams, Phys. Rev. 127, 1650 (1962). 10.1103/PhysRev.127.1650
    • (1962) Phys. Rev. , vol.127 , pp. 1650
    • Adams, W.H.1
  • 26
    • 80155138982 scopus 로고    scopus 로고
    • MOLPRO, version 2010.1, a package of ab initio programs, 2010, see
    • H.-J. Werner, P. J. Knowles, F. R. Manby, M. Schtz, MOLPRO, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
    • Werner, H.-J.1    Knowles, P.J.2    Manby, F.R.3    Schtz, M.4
  • 28
    • 4243553426 scopus 로고
    • 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 33
    • 80155138983 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-135-027141 for the complete results
    • See supplementary material at http://dx.doi.org/10.1063/1.3656734 E-JCPSA6-135-027141 for the complete results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.