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Volumn 136, Issue 5, 2012, Pages

Quasi-variational coupled cluster theory

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED CLUSTERS; COUPLED-CLUSTER APPROACH; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER THEORY; FUNCTIONAL TRANSFORMATION; QUANTUM-CHEMICAL METHODS;

EID: 84856690540     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3680560     Document Type: Article
Times cited : (39)

References (68)
  • 2
    • 34250926854 scopus 로고
    • 10.1007/BF01340294
    • V. Fock, Z. Phys. 61, 126 (1930). 10.1007/BF01340294
    • (1930) Z. Phys. , vol.61 , pp. 126
    • Fock, V.1
  • 3
    • 6944251055 scopus 로고
    • 10.1103/PhysRev.46.618
    • C. Mller and M. S. Plesset, Phys. Rev. 46, 618 (1934). 10.1103/PhysRev.46.618
    • (1934) Phys. Rev. , vol.46 , pp. 618
    • Mller, C.1    Plesset, M.S.2
  • 5
    • 16144366604 scopus 로고    scopus 로고
    • On the inherent divergence in the Mller-Plesset series. The neon atom - A test case
    • DOI 10.1016/0009-2614(96)00974-8, PII S0009261496009748
    • O. Christiansen, J. Olsen, P. Jrgensen, H. Koch, and P.-. Malmqvist, Chem. Phys. Lett. 261, 369 (1996). 10.1016/0009-2614(96)00974-8 (Pubitemid 126163433)
    • (1996) Chemical Physics Letters , vol.261 , Issue.3 , pp. 369-378
    • Christiansen, O.1    Olsen, J.2    Jorgensen, P.3    Koch, H.4    Malmqvist, P.-A.5
  • 7
    • 24544432103 scopus 로고
    • 10.1103/PhysRev.97.1474
    • P.-O. Löwdin, Phys. Rev. 97, 1474 (1955). 10.1103/PhysRev.97.1474
    • (1955) Phys. Rev. , vol.97 , pp. 1474
    • Löwdin, P.-O.1
  • 8
    • 0001621669 scopus 로고
    • 10.1103/PhysRev.134.A1450
    • H. P. Kelly, Phys. Rev. 134, A1450 (1964). 10.1103/PhysRev.134.A1450
    • (1964) Phys. Rev. , vol.134 , pp. 1450
    • Kelly, H.P.1
  • 9
    • 36849101662 scopus 로고
    • 10.1063/1.1679283
    • W. Meyer, J. Chem. Phys. 58, 1017 (1973). 10.1063/1.1679283
    • (1973) J. Chem. Phys. , vol.58 , pp. 1017
    • Meyer, W.1
  • 10
    • 46549090799 scopus 로고
    • 10.1016/0009-2614(85)80400-0
    • P. Pulay and S. Sb, Chem. Phys. Lett. 117, 37 (1985). 10.1016/0009-2614(85)80400-0
    • (1985) Chem. Phys. Lett. , vol.117 , pp. 37
    • Pulay, P.1    Sb, S.2
  • 11
    • 0002164576 scopus 로고
    • 10.1016/0010-4655(79)90067-5
    • R. Ahlrichs, Comput. Phys. Commun. 17, 31 (1979). 10.1016/0010-4655(79) 90067-5
    • (1979) Comput. Phys. Commun. , vol.17 , pp. 31
    • Ahlrichs, R.1
  • 14
    • 36849099976 scopus 로고
    • 10.1063/1.1727484
    • J. ek, J. Chem. Phys. 45, 4256 (1966). 10.1063/1.1727484
    • (1966) J. Chem. Phys. , vol.45 , pp. 4256
    • Ek, J.1
  • 15
    • 78149423122 scopus 로고
    • 10.1002/SERIES2007
    • J. ek, Adv. Chem. Phys. 14, 35 (1969). 10.1002/SERIES2007
    • (1969) Adv. Chem. Phys. , vol.14 , pp. 35
    • Ek, J.1
  • 18
    • 0001626413 scopus 로고
    • 10.1146/annurev.pc.32.100181.002043
    • R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981). 10.1146/annurev.pc.32.100181.002043
    • (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
    • Bartlett, R.J.1
  • 21
    • 0001247830 scopus 로고    scopus 로고
    • Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model
    • DOI 10.1063/1.477764, PII S0021960698301488
    • A. Krylov, C. Sherrill, E. Byrd, and M. Head-Gordon, J. Chem. Phys. 109, 10669 (1998). 10.1063/1.477764 (Pubitemid 128675115)
    • (1998) Journal of Chemical Physics , vol.109 , Issue.24 , pp. 10669-10678
    • Krylov, A.I.1    Sherrill, C.D.2    Byrd, E.F.C.3    Head-Gordon, M.4
  • 24
    • 0000621233 scopus 로고    scopus 로고
    • Size-consistent wave functions for bond-breaking: The equation-of-motion spin-flip model
    • DOI 10.1016/S0009-2614(01)00287-1, PII S0009261401002871
    • A. Krylov, Chem. Phys. Lett. 338, 375 (2001). 10.1016/S0009-2614(01) 00287-1 (Pubitemid 33630745)
    • (2001) Chemical Physics Letters , vol.338 , Issue.4-6 , pp. 375-384
    • Krylov, A.I.1
  • 25
    • 0001302484 scopus 로고    scopus 로고
    • Spin-flip configuration interaction: An electronic structure model that is both variational and size-consistent
    • DOI 10.1016/S0009-2614(01)01316-1, PII S0009261401013161
    • A. Krylov, Chem. Phys. Lett. 350, 522 (2001). 10.1016/S0009-2614(01) 01316-1 (Pubitemid 33632280)
    • (2001) Chemical Physics Letters , vol.350 , Issue.5-6 , pp. 522-530
    • Krylov, A.I.1
  • 28
    • 27844548709 scopus 로고    scopus 로고
    • Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations
    • DOI 10.1080/00268970500131595
    • P.-D. Fan, K. Kowalski, and P. Piecuch, Mol. Phys. 103, 2191 (2005). 10.1080/00268970500131595 (Pubitemid 41647956)
    • (2005) Molecular Physics , vol.103 , Issue.15-16 , pp. 2191-2213
    • Fan, P.-D.1    Kowalski, K.2    Piecuch, P.3
  • 32
    • 0034316717 scopus 로고    scopus 로고
    • Benchmark variational coupled cluster doubles results
    • DOI 10.1063/1.1319643
    • T. Van Voorhis and M. Head-Gordon, J. Chem. Phys. 113, 8873 (2000). 10.1063/1.1319643 (Pubitemid 32033352)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.20 , pp. 8873-8879
    • Van Voorhis, T.1    Head-Gordon, M.2
  • 33
    • 27844548709 scopus 로고    scopus 로고
    • Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations
    • DOI 10.1080/00268970500131595
    • P.-D. Fan, K. Kowalski, and P. Piecuch, Mol. Phys. 103, 2191 (2005). 10.1080/00268970500131595 (Pubitemid 41647956)
    • (2005) Molecular Physics , vol.103 , Issue.15-16 , pp. 2191-2213
    • Fan, P.-D.1    Kowalski, K.2    Piecuch, P.3
  • 34
    • 0001334147 scopus 로고
    • 10.1016/0003-4916(83)90284-1
    • J. Arponen, Ann. Phys. 151, 311 (1983). 10.1016/0003-4916(83)90284-1
    • (1983) Ann. Phys. , vol.151 , pp. 311
    • Arponen, J.1
  • 37
    • 36749104944 scopus 로고
    • 10.1063/1.444231
    • W. Kutzelnigg, J. Chem. Phys. 77, 3081 (1982). 10.1063/1.444231
    • (1982) J. Chem. Phys. , vol.77 , pp. 3081
    • Kutzelnigg, W.1
  • 39
    • 36549099094 scopus 로고
    • 10.1063/1.448859
    • W. Kutzelnigg, J. Chem. Phys. 82, 4166 (1984). 10.1063/1.448859
    • (1984) J. Chem. Phys. , vol.82 , pp. 4166
    • Kutzelnigg, W.1
  • 41
  • 42
    • 79959471915 scopus 로고    scopus 로고
    • 10.1063/1.3598471
    • F. A. Evangelista, J. Chem. Phys. 134, 224102 (2011). 10.1063/1.3598471
    • (2011) J. Chem. Phys. , vol.134 , pp. 224102
    • Evangelista, F.A.1
  • 46
    • 84979700713 scopus 로고
    • 10.1002/and19163540702
    • A. Einstein, Ann. Phys. 354, 769 (1916). 10.1002/andp.19163540702
    • (1916) Ann. Phys. , vol.354 , pp. 769
    • Einstein, A.1
  • 51
    • 0000584708 scopus 로고
    • 10.1103/PhysRev.96.508
    • K. A. Brueckner, Phys. Rev. 96, 508 (1954). 10.1103/PhysRev.96.508
    • (1954) Phys. Rev. , vol.96 , pp. 508
    • Brueckner, K.A.1
  • 52
    • 0000153535 scopus 로고
    • 10.1103/PhysRev.109.1632
    • R. K. Nesbet, Phys. Rev. 109, 1632 (1958). 10.1103/PhysRev.109.1632
    • (1958) Phys. Rev. , vol.109 , pp. 1632
    • Nesbet, R.K.1
  • 67
    • 0035880942 scopus 로고    scopus 로고
    • Higher excitations in coupled-cluster theory
    • DOI 10.1063/1.1383290
    • M. Kllay and P. R. Surjn, J. Chem. Phys. 115, 2945 (2001), see http://www.mrcc.hu. 10.1063/1.1383290 (Pubitemid 32796736)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.7 , pp. 2945-2954
    • Kallay, M.1    Surjan, P.R.2
  • 68
    • 0001887356 scopus 로고    scopus 로고
    • 10.1080/00268979809482295
    • W. Kutzelnigg, Mol. Phys. 94, 65 (1998). 10.1080/00268979809482295
    • (1998) Mol. Phys. , vol.94 , pp. 65
    • Kutzelnigg, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.