메뉴 건너뛰기




Volumn 144, Issue 4, 2016, Pages

SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

EID: 84956978056     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4940734     Document Type: Article
Times cited : (172)

References (94)
  • 12
    • 84860178376 scopus 로고    scopus 로고
    • J.-D. Chai, J. Chem. Phys. 136, 154104 (2012). 10.1063/1.3703894
    • (2012) J. Chem. Phys. , vol.136 , pp. 154104
    • Chai, J.-D.1
  • 13
    • 84904788001 scopus 로고    scopus 로고
    • J.-D. Chai, J. Chem. Phys. 140, 18A521 (2014). 10.1063/1.4867532
    • (2014) J. Chem. Phys. , vol.140 , pp. 18A521
    • Chai, J.-D.1
  • 24
    • 0000665709 scopus 로고
    • J. Harris, Phys. Rev. A 29, 1648 (1984). 10.1103/PhysRevA.29.1648
    • (1984) Phys. Rev. A , vol.29 , pp. 1648
    • Harris, J.1
  • 37
    • 5444219927 scopus 로고    scopus 로고
    • edited by C. Fiolhais, F. Nogueira, and M. A. L. Marques (Springer, Berlin)
    • E. Engel, A Primer in Density Functional Theory, Lecture Notes in Physics Vol. 620, edited by C. Fiolhais, F. Nogueira, and M. A. L. Marques (Springer, Berlin, 2003), pp. 56-122.
    • (2003) A Primer in Density Functional Theory, Lecture Notes in Physics , vol.620 , pp. 56-122
    • Engel, E.1
  • 41
    • 31144454180 scopus 로고    scopus 로고
    • S. Grimme, J. Chem. Phys. 124, 034108 (2006). 10.1063/1.2148954
    • (2006) J. Chem. Phys. , vol.124 , pp. 034108
    • Grimme, S.1
  • 51
    • 84899786537 scopus 로고    scopus 로고
    • N. Q. Su and X. Xu, J. Chem. Phys. 140, 18A512 (2014). 10.1063/1.4866457
    • (2014) J. Chem. Phys. , vol.140 , pp. 18A512
    • Su, N.Q.1    Xu, X.2
  • 68
    • 77957833624 scopus 로고    scopus 로고
    • S. Grimme, Org. Lett. 12, 4670 (2010). 10.1021/ol1016417
    • (2010) Org. Lett. , vol.12 , pp. 4670
    • Grimme, S.1
  • 81
    • 84957021102 scopus 로고    scopus 로고
    • See supplementary material at http://dx.doi.org/10.1063/1.4940734 E-JCPSA6-144-030605 for further numerical results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.