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Volumn 121, Issue 4, 2004, Pages 1670-1675

Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON AFFINITY (EA); EXCITATION ENERGIES (EE); FOCK SPACE (FS) METHODS; IONIZATION POTENTIALS (IP);

EID: 3543066966     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1765096     Document Type: Article
Times cited : (80)

References (62)
  • 1
    • 0001392512 scopus 로고
    • J. Cizek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969) ; J. Paldus, J. Cizek, and I. Shavitt, Phys. Rev. A 5, 50 (1972).
    • (1966) J. Chem. Phys. , vol.45 , pp. 4256
    • Cizek, J.1
  • 2
    • 0006248530 scopus 로고
    • J. Cizek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969) ; J. Paldus, J. Cizek, and I. Shavitt, Phys. Rev. A 5, 50 (1972).
    • (1969) Adv. Chem. Phys. , vol.14 , pp. 15
  • 3
    • 0002334650 scopus 로고
    • J. Cizek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969) ; J. Paldus, J. Cizek, and I. Shavitt, Phys. Rev. A 5, 50 (1972).
    • (1972) Phys. Rev. A , vol.5 , pp. 50
    • Paldus, J.1    Cizek, J.2    Shavitt, I.3
  • 4
    • 0000533004 scopus 로고
    • R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific Publishing, New York, 1995), p. 1047, Part 2; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. 5, pp. 65-169.
    • (1989) J. Phys. Chem. , vol.93 , pp. 1697
    • Bartlett, R.J.1
  • 5
    • 0001039562 scopus 로고
    • edited by D. R. Yarkony (World Scientific Publishing, New York), Part 2
    • R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific Publishing, New York, 1995), p. 1047, Part 2; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. 5, pp. 65-169.
    • (1995) Modern Electronic Structure Theory , pp. 1047
    • Bartlett, R.J.1
  • 6
    • 84962534251 scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York)
    • R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific Publishing, New York, 1995), p. 1047, Part 2; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. 5, pp. 65-169.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65-169
    • Bartlett, R.J.1    Stanton, J.F.2
  • 8
    • 0002232881 scopus 로고
    • NATO, edited by S. Wilson and G. H. F. Diercksen (Plenum, New York)
    • J. Paldus, in Methods in Computational Molecular Physics, NATO, edited by S. Wilson and G. H. F. Diercksen (Plenum, New York, 1992), Vol. 293, pp. 99-194.
    • (1992) Methods in Computational Molecular Physics , vol.293 , pp. 99-194
    • Paldus, J.1
  • 20
    • 0005586104 scopus 로고    scopus 로고
    • J. Stanton and J. Gauss, Theor. Chim. Acta 98, 303 (1996); 95, 97(E) (1997).
    • (1997) Theor. Chim. Acta , vol.95
  • 29
    • 0009512888 scopus 로고    scopus 로고
    • M. Nooijen and R. J. Bartlett, J. Chem. Phys. 106, 6441 (1997); 107, 6812 (1997).
    • (1997) J. Chem. Phys. , vol.107 , pp. 6812
  • 37
    • 33746614482 scopus 로고
    • T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989); D. E. Woon and T. H. Dunning, Jr., ibid. 103, 4572 (1995).
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning Jr., T.H.1
  • 41
    • 3543084758 scopus 로고    scopus 로고
    • note
    • J. F. Stanton, J. Gauss, J. D. Watts et al., ACES II program is a product of the Quantum Theory Project, University of Florida. Integral packages included are; J. Almlöf and P. Taylor, VMOL; P. R. Taylor, VPROPS; T. U. Helgaker, H. J. Aa. Jensen, J. Olsen, P. Jörgensen, and P. R. Taylor, A modified version of ABACUS integral derivative package.
  • 42
    • 84862396975 scopus 로고    scopus 로고
    • M. Musiał, S. A. Kucharski, L. Meissner, and R. J. Bartlett (unpublished)
    • M. Musiał, S. A. Kucharski, L. Meissner, and R. J. Bartlett (unpublished).
  • 43
    • 36448999950 scopus 로고
    • J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 98, 7029 (1993); J. Geertsen, M. Rittby, and R. J. Bartlett, Chem. Phys. Lett. 164, 57 (1989); D. C. Comeau and R. J. Bartlett, ibid. 207, 414 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 7029
    • Stanton, J.F.1    Bartlett, R.J.2
  • 44
    • 4243864319 scopus 로고
    • J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 98, 7029 (1993); J. Geertsen, M. Rittby, and R. J. Bartlett, Chem. Phys. Lett. 164, 57 (1989); D. C. Comeau and R. J. Bartlett, ibid. 207, 414 (1993).
    • (1989) Chem. Phys. Lett. , vol.164 , pp. 57
    • Geertsen, J.1    Rittby, M.2    Bartlett, R.J.3
  • 45
    • 26144450008 scopus 로고
    • J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 98, 7029 (1993); J. Geertsen, M. Rittby, and R. J. Bartlett, Chem. Phys. Lett. 164, 57 (1989); D. C. Comeau and R. J. Bartlett, ibid. 207, 414 (1993).
    • (1993) Chem. Phys. Lett. , vol.207 , pp. 414
    • Comeau, D.C.1    Bartlett, R.J.2
  • 46
    • 84987142183 scopus 로고
    • H. J. Monkhorst, Int. J. Quantum Chem. S11, 421 (1977); H. Koch, H. J. A. Jensen, T. Helgaker, and P. Jörgensen, Mol. Phys. 93, 3345 (1990); H. Koch and P. Jörgensen, J. Chem. Phys. 93, 3333 (1990).
    • (1977) Int. J. Quantum Chem. , vol.S11 , pp. 421
    • Monkhorst, H.J.1
  • 47
    • 0001212624 scopus 로고
    • H. J. Monkhorst, Int. J. Quantum Chem. S11, 421 (1977); H. Koch, H. J. A. Jensen, T. Helgaker, and P. Jörgensen, Mol. Phys. 93, 3345 (1990); H. Koch and P. Jörgensen, J. Chem. Phys. 93, 3333 (1990).
    • (1990) Mol. Phys. , vol.93 , pp. 3345
    • Koch, H.1    Jensen, H.J.A.2    Helgaker, T.3    Jörgensen, P.4
  • 48
    • 36549100024 scopus 로고
    • H. J. Monkhorst, Int. J. Quantum Chem. S11, 421 (1977); H. Koch, H. J. A. Jensen, T. Helgaker, and P. Jörgensen, Mol. Phys. 93, 3345 (1990); H. Koch and P. Jörgensen, J. Chem. Phys. 93, 3333 (1990).
    • (1990) J. Chem. Phys. , vol.93 , pp. 3333
    • Koch, H.1    Jörgensen, P.2
  • 52
    • 0035250025 scopus 로고    scopus 로고
    • D. Ajitha, N. Vaval, and S. Pal, J. Chem. Phys. 110, 2316 (1999); D. Ajitha and S. Pal, ibid. 114, 3380 (2001).
    • (2001) J. Chem. Phys. , vol.114 , pp. 3380
    • Ajitha, D.1    Pal, S.2
  • 53
    • 0003392735 scopus 로고
    • U.S. Department of Commerce, Washington, DC
    • C. E. Moore, Atomic Energy Levels (U.S. Department of Commerce, Washington, DC, 1949), Vol. 1.
    • (1949) Atomic Energy Levels , vol.1
    • Moore, C.E.1
  • 56
    • 33645740186 scopus 로고
    • T. H. Schucan and H. A. Weidenmuller, Ann. Phys. (N.Y.) 73, 108 (1972); 76, 483 (1973).
    • (1973) Ann. Phys. (N.Y.) , vol.76 , pp. 483
  • 58
    • 3543114030 scopus 로고
    • G. Hose and U. Kaldor, J. Phys. B 12, 3287 (1979); Phys. Scr. 21, 357 (1980); Chem. Phys. 62, 419 (1981); J. Phys. Chem. 86, 2133 (1982).
    • (1979) J. Phys. B , vol.12 , pp. 3287
    • Hose, G.1    Kaldor, U.2
  • 59
    • 84952275373 scopus 로고
    • G. Hose and U. Kaldor, J. Phys. B 12, 3287 (1979); Phys. Scr. 21, 357 (1980); Chem. Phys. 62, 419 (1981); J. Phys. Chem. 86, 2133 (1982).
    • (1980) Phys. Scr. , vol.21 , pp. 357
  • 60
    • 1642344668 scopus 로고
    • G. Hose and U. Kaldor, J. Phys. B 12, 3287 (1979); Phys. Scr. 21, 357 (1980); Chem. Phys. 62, 419 (1981); J. Phys. Chem. 86, 2133 (1982).
    • (1981) Chem. Phys. , vol.62 , pp. 419
  • 61
    • 0000585265 scopus 로고
    • G. Hose and U. Kaldor, J. Phys. B 12, 3287 (1979); Phys. Scr. 21, 357 (1980); Chem. Phys. 62, 419 (1981); J. Phys. Chem. 86, 2133 (1982).
    • (1982) J. Phys. Chem. , vol.86 , pp. 2133


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