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Volumn 125, Issue 15, 2006, Pages

Hole-particle characterization of coupled-cluster singles and doubles and related models

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTION (CI); COUPLED-CLUSTER SINGLES AND DOUBLES (CCSD); ELECTRON CORRELATION; TRIATOMIC SYSTEMS;

EID: 33750198683     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2360262     Document Type: Article
Times cited : (13)

References (84)
  • 6
    • 27844592646 scopus 로고
    • 0497-2627
    • A. V. Luzanov and V. E. Umanski, Teor. Eksp. Khim. 0497-2627 13, 217 (1977); A. V. Luzanov and V. E. Umanski, [Theor. Exp. Chem. 0040-5760 13, 162 (1977)]; A. V. Luzanov, Russ. Chem. Rev. 49, 1033 (1980).
    • (1977) Teor. Eksp. Khim. , vol.13 , pp. 217
    • Luzanov, A.V.1    Umanski, V.E.2
  • 7
    • 33750181410 scopus 로고
    • 0040-5760
    • A. V. Luzanov and V. E. Umanski, Teor. Eksp. Khim. 0497-2627 13, 217 (1977); A. V. Luzanov and V. E. Umanski, [Theor. Exp. Chem. 0040-5760 13, 162 (1977)]; A. V. Luzanov, Russ. Chem. Rev. 49, 1033 (1980).
    • (1977) Theor. Exp. Chem. , vol.13 , pp. 162
    • Luzanov, A.V.1    Umanski, V.E.2
  • 8
    • 84912676847 scopus 로고
    • A. V. Luzanov and V. E. Umanski, Teor. Eksp. Khim. 0497-2627 13, 217 (1977); A. V. Luzanov and V. E. Umanski, [Theor. Exp. Chem. 0040-5760 13, 162 (1977)]; A. V. Luzanov, Russ. Chem. Rev. 49, 1033 (1980).
    • (1980) Russ. Chem. Rev. , vol.49 , pp. 1033
    • Luzanov, A.V.1
  • 10
    • 33750193698 scopus 로고
    • Theor. Exp. Chem. 26, 485 (1990)
    • (1990) Theor. Exp. Chem. , vol.26 , pp. 485
  • 13
    • 0000909837 scopus 로고
    • 0031-9007 10.1103/PhysRevLett.63.105
    • J. P. Crutchfield, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.63.105 63, 105 (1989); C. Adami, BioEssays 24, 1085 (2002).
    • (1989) Phys. Rev. Lett. , vol.63 , pp. 105
    • Crutchfield, J.P.1
  • 14
    • 0036905397 scopus 로고    scopus 로고
    • J. P. Crutchfield, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.63.105 63, 105 (1989); C. Adami, BioEssays 24, 1085 (2002).
    • (2002) BioEssays , vol.24 , pp. 1085
    • Adami, C.1
  • 16
    • 0000327915 scopus 로고
    • 0040-5744 10.1007/BF00549017
    • K. Takatsuka, T. Fueno, and K. J. Yamaguchi, Theor. Chim. Acta 0040-5744 10.1007/BF00549017 48, 175 (1978); R. C. J. Bochicchio, J. Mol. Struct.: THEOCHEM 0166-1280 10.1016/S0166-1280(97)00357-6 429, 229 (1998); V. N Staroverov and E. R. Davidson, J. Am. Chem. Soc. 122 186 (2000).
    • (1978) Theor. Chim. Acta , vol.48 , pp. 175
    • Takatsuka, K.1    Fueno, T.2    Yamaguchi, K.J.3
  • 17
    • 0001576730 scopus 로고    scopus 로고
    • 0166-1280 10.1016/S0166-1280(97)00357-6
    • K. Takatsuka, T. Fueno, and K. J. Yamaguchi, Theor. Chim. Acta 0040-5744 10.1007/BF00549017 48, 175 (1978); R. C. J. Bochicchio, J. Mol. Struct.: THEOCHEM 0166-1280 10.1016/S0166-1280(97)00357-6 429, 229 (1998); V. N Staroverov and E. R. Davidson, J. Am. Chem. Soc. 122 186 (2000).
    • (1998) J. Mol. Struct.: THEOCHEM , vol.429 , pp. 229
    • Bochicchio, R.C.J.1
  • 18
    • 0034639422 scopus 로고    scopus 로고
    • K. Takatsuka, T. Fueno, and K. J. Yamaguchi, Theor. Chim. Acta 0040-5744 10.1007/BF00549017 48, 175 (1978); R. C. J. Bochicchio, J. Mol. Struct.: THEOCHEM 0166-1280 10.1016/S0166-1280(97)00357-6 429, 229 (1998); V. N Staroverov and E. R. Davidson, J. Am. Chem. Soc. 122 186 (2000).
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 186
    • Staroverov, V.N.1    Davidson, E.R.2
  • 19
    • 0000640204 scopus 로고    scopus 로고
    • 0009-2614 10.1016/S0009-2614(00)01088-5
    • V. N. Staroverov and E. R. Davidson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)01088-5 330, 161 (2000); M. Head-Gordon, Chem. Phys. Lett. 372, 508 (2003).
    • (2000) Chem. Phys. Lett. , vol.330 , pp. 161
    • Staroverov, V.N.1    Davidson, E.R.2
  • 20
    • 0037472107 scopus 로고    scopus 로고
    • V. N. Staroverov and E. R. Davidson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)01088-5 330, 161 (2000); M. Head-Gordon, Chem. Phys. Lett. 372, 508 (2003).
    • (2003) Chem. Phys. Lett. , vol.372 , pp. 508
    • Head-Gordon, M.1
  • 27
    • 0011407476 scopus 로고
    • R. McWeeny, Rev. Mod. Phys. 32, 335 (1960); Methods of Molecular Quantum Mechanics, 2nd ed. (Academic, London, 1992).
    • (1960) Rev. Mod. Phys. , vol.32 , pp. 335
    • McWeeny, R.1
  • 28
    • 0011407476 scopus 로고
    • 2nd ed. (Academic, London
    • R. McWeeny, Rev. Mod. Phys. 32, 335 (1960); Methods of Molecular Quantum Mechanics, 2nd ed. (Academic, London, 1992).
    • (1992) Methods of Molecular Quantum Mechanics
  • 32
    • 0000898594 scopus 로고
    • 0021-9606 10.1063/1.441643
    • R. A. Chiles and C. E. Dykstra, J. Chem. Phys. 0021-9606 10.1063/1.441643 74, 4544 (1981); N. C. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari, and G. W. Truck, Chem. Phys. Lett. 164, 185 (1989).
    • (1981) J. Chem. Phys. , vol.74 , pp. 4544
    • Chiles, R.A.1    Dykstra, C.E.2
  • 34
  • 36
    • 27744445002 scopus 로고    scopus 로고
    • NIC Series Vol. edited by J.Grotendorst (John von Neumann Institute for Computing, Julich
    • P. Knowless, M. Schutz, and H.-J. Werner, in Modern Methods and Algorithms of Quantum Chemistry, NIC Series Vol. 1, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), pp. 69-151.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 69-151
    • Knowless, P.1    Schutz, M.2    Werner, H.-J.3
  • 38
    • 0347150903 scopus 로고
    • 0497-2627
    • A. V. Luzanov, Teor. Eksp. Khim. 0497-2627 11, 3 (1975); A. V. Luzanov, [Theor. Exp. Chem. 11, 1 (1975)].
    • (1975) Teor. Eksp. Khim. , vol.11 , pp. 3
    • Luzanov, A.V.1
  • 39
    • 34250383897 scopus 로고
    • A. V. Luzanov, Teor. Eksp. Khim. 0497-2627 11, 3 (1975); A. V. Luzanov, [Theor. Exp. Chem. 11, 1 (1975)].
    • (1975) Theor. Exp. Chem. , vol.11 , pp. 1
    • Luzanov, A.V.1
  • 41
    • 33750191120 scopus 로고
    • Theor. Exp. Chem. 21, 367 (1985)
    • (1985) Theor. Exp. Chem. , vol.21 , pp. 367
  • 42
    • 84943963928 scopus 로고
    • 0026-8976 10.1080/00268977400100071
    • K. R. Roby, Mol. Phys. 0026-8976 10.1080/00268977400100071 27, 81 (1974); A. E. Clark and E. R. Davidson, Int. J. Quantum Chem. 93, 384 (2003).
    • (1974) Mol. Phys. , vol.27 , pp. 81
    • Roby, K.R.1
  • 45
    • 0034928590 scopus 로고    scopus 로고
    • 1463-9076
    • E. Goldmann, S. A. Asher, and S. Mukamel, Phys. Chem. Chem. Phys. 1463-9076 3, 2893 (2001); K. A. Nguyen, P. N. Day, R. Pachter, S. Tretiak, V. Chernyak, and S. Mukamel, J. Phys. Chem. A 106, 10285 (2002).
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 2893
    • Goldmann, E.1    Asher, S.A.2    Mukamel, S.3
  • 48
    • 84962534251 scopus 로고
    • R. J. Bartlett and J. F. Stanton, Rev. Comput. Chem. 5, 65 (1994); R. J. Bartlett, in Modern Electronic Structure Theory, Advanced Series in Physical Chemistry, Vol. 2, edited by, D. R. Yarcony, (World Scientific, Singapore, 1995), p. 1047.
    • (1994) Rev. Comput. Chem. , vol.5 , pp. 65
    • Bartlett, R.J.1    Stanton, J.F.2
  • 49
    • 0001039562 scopus 로고
    • Advanced Series in Physical Chemistry, Vol. edited by D. R.Yarcony (World Scientific, Singapore
    • R. J. Bartlett and J. F. Stanton, Rev. Comput. Chem. 5, 65 (1994); R. J. Bartlett, in Modern Electronic Structure Theory, Advanced Series in Physical Chemistry, Vol. 2, edited by, D. R. Yarcony, (World Scientific, Singapore, 1995), p. 1047.
    • (1995) Modern Electronic Structure Theory , vol.2 , pp. 1047
    • Bartlett, R.J.1
  • 52
    • 0002559270 scopus 로고
    • edited by P.Jorgensen and J.Simons (Reidel, Dordrecht
    • R. J. Bartlett, in Geometrical Derivatives of Energy Surfaces and Molecular Properties, edited by, P. Jorgensen, and, J. Simons, (Reidel, Dordrecht, 1986), pp. 35-61;; J. F. Stanton, J. Chem. Phys. 0021-9606 99, 8849 (1993); J. Gauss and J. F. Stanton, J. Chem. Phys. 116, 7773 (2002).
    • (1986) Geometrical Derivatives of Energy Surfaces and Molecular Properties , pp. 35-61
    • Bartlett, R.J.1
  • 53
    • 33750174745 scopus 로고
    • 0021-9606
    • R. J. Bartlett, in Geometrical Derivatives of Energy Surfaces and Molecular Properties, edited by, P. Jorgensen, and, J. Simons, (Reidel, Dordrecht, 1986), pp. 35-61;; J. F. Stanton, J. Chem. Phys. 0021-9606 99, 8849 (1993); J. Gauss and J. F. Stanton, J. Chem. Phys. 116, 7773 (2002).
    • (1993) J. Chem. Phys. , vol.99 , pp. 8849
    • Stanton, J.F.1
  • 54
    • 33750163841 scopus 로고    scopus 로고
    • R. J. Bartlett, in Geometrical Derivatives of Energy Surfaces and Molecular Properties, edited by, P. Jorgensen, and, J. Simons, (Reidel, Dordrecht, 1986), pp. 35-61;; J. F. Stanton, J. Chem. Phys. 0021-9606 99, 8849 (1993); J. Gauss and J. F. Stanton, J. Chem. Phys. 116, 7773 (2002).
    • (2002) J. Chem. Phys. , vol.116 , pp. 7773
    • Gauss, J.1    Stanton, J.F.2
  • 61
    • 33750165026 scopus 로고    scopus 로고
    • A. V. Luzanov, Kharkov University Bulletine, Chemical Series Issue No. 626 11 (34), 195 (2004); (http://www-chemistry.univer.kharkov.ua/bulletin/pdfs/ 0626_14.pdf).
    • (2004) Kharkov University Bulletine , vol.11 , Issue.34 , pp. 195
    • Luzanov, A.V.1
  • 62
    • 84859674258 scopus 로고    scopus 로고
    • A. V. Luzanov, Kharkov University Bulletine, Chemical Series Issue No. 626 11 (34), 195 (2004); (http://www-chemistry.univer.kharkov.ua/bulletin/pdfs/ 0626_14.pdf).
  • 63
    • 21144467522 scopus 로고
    • 0932-0784
    • D. M. Collins, Z. Naturforsch., A: Phys. Sci. 0932-0784 48, 68 (1993); P. Gersdorf, W. John, J. P. Perdew, and P. Zeische, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1997)61:6<935::AID-QUA6>3.0.CO;2-X 61, 935 (1997); J. C. Ramirez, H. Perez, R. P. Sagar, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., Phys. Rev. A 1050-2947 10.1103/PhysRevA.58.3507 58, 3507 (1998); R. P. Sagar, J. C. Ramirez, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., J. Chem. Phys. 116, 9213 (2002).
    • (1993) Z. Naturforsch., A: Phys. Sci. , vol.48 , pp. 68
    • Collins, D.M.1
  • 64
    • 0000457674 scopus 로고    scopus 로고
    • 0020-7608 10.1002/(SICI)1097-461X(1997)61:6<935::AID-QUA6>3.0.CO;2- X
    • D. M. Collins, Z. Naturforsch., A: Phys. Sci. 0932-0784 48, 68 (1993); P. Gersdorf, W. John, J. P. Perdew, and P. Zeische, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1997)61:6<935::AID-QUA6>3.0.CO;2-X 61, 935 (1997); J. C. Ramirez, H. Perez, R. P. Sagar, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., Phys. Rev. A 1050-2947 10.1103/PhysRevA.58.3507 58, 3507 (1998); R. P. Sagar, J. C. Ramirez, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., J. Chem. Phys. 116, 9213 (2002).
    • (1997) Int. J. Quantum Chem. , vol.61 , pp. 935
    • Gersdorf, P.1    John, W.2    Perdew, J.P.3    Zeische, P.4
  • 65
    • 0042066853 scopus 로고    scopus 로고
    • 1050-2947 10.1103/PhysRevA.58.3507
    • D. M. Collins, Z. Naturforsch., A: Phys. Sci. 0932-0784 48, 68 (1993); P. Gersdorf, W. John, J. P. Perdew, and P. Zeische, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1997)61:6<935::AID-QUA6>3.0.CO;2-X 61, 935 (1997); J. C. Ramirez, H. Perez, R. P. Sagar, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., Phys. Rev. A 1050-2947 10.1103/PhysRevA.58.3507 58, 3507 (1998); R. P. Sagar, J. C. Ramirez, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., J. Chem. Phys. 116, 9213 (2002).
    • (1998) Phys. Rev. A , vol.58 , pp. 3507
    • Ramirez, J.C.1    Perez, H.2    Sagar, R.P.3    Esquivel, R.O.4    Ho, M.5    Smith Jr., V.H.6
  • 66
    • 0036608011 scopus 로고    scopus 로고
    • D. M. Collins, Z. Naturforsch., A: Phys. Sci. 0932-0784 48, 68 (1993); P. Gersdorf, W. John, J. P. Perdew, and P. Zeische, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1997)61:6<935::AID-QUA6>3.0.CO;2-X 61, 935 (1997); J. C. Ramirez, H. Perez, R. P. Sagar, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., Phys. Rev. A 1050-2947 10.1103/PhysRevA.58.3507 58, 3507 (1998); R. P. Sagar, J. C. Ramirez, R. O. Esquivel, M. Ho, and V. H. Smith, Jr., J. Chem. Phys. 116, 9213 (2002).
    • (2002) J. Chem. Phys. , vol.116 , pp. 9213
    • Sagar, R.P.1    Ramirez, J.C.2    Esquivel, R.O.3    Ho, M.4    Smith Jr., V.H.5
  • 68
    • 1142265936 scopus 로고
    • 0040-5779 10.1007/BF01028915
    • G. E. Vaiman, A. V. Luzanov, and M. M. Mestechkin, Theor. Math. Phys. 0040-5779 10.1007/BF01028915 28, 634 (1976); A. V. Luzanov and G. E. Whyman, Int. J. Quantum Chem. 20, 1179 (1981).
    • (1976) Theor. Math. Phys. , vol.28 , pp. 634
    • Vaiman, G.E.1    Luzanov, A.V.2    Mestechkin, M.M.3
  • 69
    • 84984020878 scopus 로고
    • G. E. Vaiman, A. V. Luzanov, and M. M. Mestechkin, Theor. Math. Phys. 0040-5779 10.1007/BF01028915 28, 634 (1976); A. V. Luzanov and G. E. Whyman, Int. J. Quantum Chem. 20, 1179 (1981).
    • (1981) Int. J. Quantum Chem. , vol.20 , pp. 1179
    • Luzanov, A.V.1    Whyman, G.E.2
  • 71
    • 33750181691 scopus 로고    scopus 로고
    • MATHEMATICA-5, Wolfram Research Champaign, IL.
    • MATHEMATICA-5, Wolfram Research Champaign, IL.
  • 72
    • 0003662797 scopus 로고
    • Molecular Spectra and Molecular Structure Vol. Van Nostrand Reinhold, New York
    • G. Herzberg, Electronic Spectra and Electronic Structure of Polyatomic Molecules, Molecular Spectra and Molecular Structure Vol. III (Van Nostrand Reinhold, New York, 1966); K. P. Huber and G. Herzberg, Constants of Diatomic Molecules, Molecular Spectra and Molecular Structure Vol. IV (Van Nostrand Reinhold, New York, 1979).
    • (1966) Electronic Spectra and Electronic Structure of Polyatomic Molecules , vol.3
    • Herzberg, G.1
  • 73
    • 0003919080 scopus 로고
    • Molecular Spectra and Molecular Structure Vol. Van Nostrand Reinhold, New York
    • G. Herzberg, Electronic Spectra and Electronic Structure of Polyatomic Molecules, Molecular Spectra and Molecular Structure Vol. III (Van Nostrand Reinhold, New York, 1966); K. P. Huber and G. Herzberg, Constants of Diatomic Molecules, Molecular Spectra and Molecular Structure Vol. IV (Van Nostrand Reinhold, New York, 1979).
    • (1979) Constants of Diatomic Molecules , vol.4
    • Huber, K.P.1    Herzberg, G.2
  • 77
    • 0039964119 scopus 로고
    • 1364-5021
    • W. G. Penny, Proc. R. Soc. London, Ser. A 1364-5021 158, 306 (1937); H. M. McConnell, J. Chem. Phys. 30, 126 (1959).
    • (1937) Proc. R. Soc. London, Ser. A , vol.158 , pp. 306
    • Penny, W.G.1
  • 78
    • 0000457440 scopus 로고
    • W. G. Penny, Proc. R. Soc. London, Ser. A 1364-5021 158, 306 (1937); H. M. McConnell, J. Chem. Phys. 30, 126 (1959).
    • (1959) J. Chem. Phys. , vol.30 , pp. 126
    • McConnell, H.M.1
  • 79
    • 33750165343 scopus 로고
    • 0026-8976
    • M. Rosenberg Mol. Phys. 0026-8976 30, 1037 (1975); T. Okada and T. Fueno, Bull. Chem. Soc. Jpn. 0009-2673 48, 2025 (1975); A. E. Clark and E. R. Davidson, J. Chem. Phys. 0021-9606 10.1063/1.1407276 115, 7382 (2001); A. E. Clark and E. R. Davidson, Mol. Phys. 0026-8976 10.1080/00268970110095651 100, 373 (2002); C. Hermann, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 034102 (2005).
    • (1975) Mol. Phys. , vol.30 , pp. 1037
    • Rosenberg, M.1
  • 80
    • 0346506120 scopus 로고
    • 0009-2673
    • M. Rosenberg Mol. Phys. 0026-8976 30, 1037 (1975); T. Okada and T. Fueno, Bull. Chem. Soc. Jpn. 0009-2673 48, 2025 (1975); A. E. Clark and E. R. Davidson, J. Chem. Phys. 0021-9606 10.1063/1.1407276 115, 7382 (2001); A. E. Clark and E. R. Davidson, Mol. Phys. 0026-8976 10.1080/00268970110095651 100, 373 (2002); C. Hermann, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 034102 (2005).
    • (1975) Bull. Chem. Soc. Jpn. , vol.48 , pp. 2025
    • Okada, T.1    Fueno, T.2
  • 81
    • 0035935296 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1407276
    • M. Rosenberg Mol. Phys. 0026-8976 30, 1037 (1975); T. Okada and T. Fueno, Bull. Chem. Soc. Jpn. 0009-2673 48, 2025 (1975); A. E. Clark and E. R. Davidson, J. Chem. Phys. 0021-9606 10.1063/1.1407276 115, 7382 (2001); A. E. Clark and E. R. Davidson, Mol. Phys. 0026-8976 10.1080/00268970110095651 100, 373 (2002); C. Hermann, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 034102 (2005).
    • (2001) J. Chem. Phys. , vol.115 , pp. 7382
    • Clark, A.E.1    Davidson, E.R.2
  • 82
    • 0037050990 scopus 로고    scopus 로고
    • 0026-8976 10.1080/00268970110095651
    • M. Rosenberg Mol. Phys. 0026-8976 30, 1037 (1975); T. Okada and T. Fueno, Bull. Chem. Soc. Jpn. 0009-2673 48, 2025 (1975); A. E. Clark and E. R. Davidson, J. Chem. Phys. 0021-9606 10.1063/1.1407276 115, 7382 (2001); A. E. Clark and E. R. Davidson, Mol. Phys. 0026-8976 10.1080/00268970110095651 100, 373 (2002); C. Hermann, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 034102 (2005).
    • (2002) Mol. Phys. , vol.100 , pp. 373
    • Clark, A.E.1    Davidson, E.R.2
  • 83
    • 22944468853 scopus 로고    scopus 로고
    • M. Rosenberg Mol. Phys. 0026-8976 30, 1037 (1975); T. Okada and T. Fueno, Bull. Chem. Soc. Jpn. 0009-2673 48, 2025 (1975); A. E. Clark and E. R. Davidson, J. Chem. Phys. 0021-9606 10.1063/1.1407276 115, 7382 (2001); A. E. Clark and E. R. Davidson, Mol. Phys. 0026-8976 10.1080/00268970110095651 100, 373 (2002); C. Hermann, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 034102 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 034102
    • Hermann, C.1    Reiher, M.2    Hess, B.A.3


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