메뉴 건너뛰기




Volumn 131, Issue 16, 2009, Pages

Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON NUMBER; ELECTRON PAIR; INEXPENSIVE MEANS; KEY ELEMENTS; OPEN SHELL ATOMS; ORBITALS; POLYATOMIC MOLECULES; SPIN SYMMETRY;

EID: 72049088561     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3257965     Document Type: Article
Times cited : (47)

References (15)
  • 2
    • 50549174513 scopus 로고
    • 0022-2852, 10.1016/0022-2852(61)90059-5
    • J. Linderberg and H. Shull, J. Mol. Spectrosc. 0022-2852 5, 1 (1961). 10.1016/0022-2852(61)90059-5
    • (1961) J. Mol. Spectrosc. , vol.5 , pp. 1
    • Linderberg, J.1    Shull, H.2
  • 3
    • 0042113153 scopus 로고
    • 0096-8250, 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 140, 1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 4
    • 33846410438 scopus 로고
    • 0096-8250 10.1103/PhysRev.81.385
    • J. C. Slater, Phys. Rev. 0096-8250 81, 385 (1951) 10.1103/PhysRev.81.385
    • (1951) Phys. Rev. , vol.81 , pp. 385
    • Slater, J.C.1
  • 10
    • 0000630643 scopus 로고
    • 0163-1829, 10.1103/PhysRevB.12.2111
    • T. L. Gilbert, Phys. Rev. B 0163-1829 12, 2111 (1975). 10.1103/PhysRevB.12.2111
    • (1975) Phys. Rev. B , vol.12 , pp. 2111
    • Gilbert, T.L.1
  • 12
    • 0037043901 scopus 로고    scopus 로고
    • Assessment of simple exchange-correlation energy functionals of the one-particle density matrix
    • DOI 10.1063/1.1491395
    • V. N. Staroverov and G. E. Scuseria, J. Chem. Phys. 0021-9606 117, 2489 (2002). 10.1063/1.1491395 (Pubitemid 34945433)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.6 , pp. 2489
    • Staroverov, V.N.1    Scuseria, G.E.2
  • 14
    • 44349162071 scopus 로고
    • 0192-8651, 10.1002/jcc.540030413
    • P. Pulay, J. Comput. Chem. 0192-8651 3, 556 (1982). 10.1002/jcc.540030413
    • (1982) J. Comput. Chem. , vol.3 , pp. 556
    • Pulay, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.