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Volumn 131, Issue 2, 2009, Pages

First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; COUPLED CLUSTERS; DEGENERATE CASE; EFFECTIVE HAMILTONIAN; ELECTRICAL PROPERTY; EXTERNAL FIELDS; FOCK SPACES; LINEAR RESPONSE; LOW-LYING EXCITED STATE; MULTI REFERENCE; POLARIZABILITIES; RESPONSE PROPERTIES; SECOND ORDERS; SINGLET-TRIPLET; VARIATIONAL APPROACHES;

EID: 67650727949     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3167796     Document Type: Article
Times cited : (32)

References (71)
  • 1
    • 0001802479 scopus 로고
    • Adv. Quantum Chem. 0065-3276, ();, Annu. Rev. Phys. Chem. 0066-426X 32, 359 (1981) 10.1146/annurev.pc.32.100181.002043;, in, NATO ASI Series B, edited by S. Wilson and G. H. F. Dierckson (Plenum, New York, 1992).
    • J. Cizek, Adv. Quantum Chem. 0065-3276 14, 35 (1969); R. J. Bartlett, Annu. Rev. Phys. Chem. 0066-426X 32, 359 (1981) 10.1146/annurev.pc.32.100181. 002043; J. Paldus, in Methods in Computational Molecular Physics, NATO ASI Series B, edited by, S. Wilson, and, G. H. F. Dierckson, (Plenum, New York, 1992).
    • (1969) Methods in Computational Molecular Physics , vol.14 , pp. 35
    • Cizek, J.1    Bartlett, R.J.2    Paldus, J.3
  • 3
    • 26444507215 scopus 로고
    • J. Chem. Phys. 0021-9606, () 10.1063/1.456069;, J. Chem. Phys. 0021-9606 90, 1767 (1989) 10.1063/1.456070;, Int. J. Quantum Chem. 0020-7608 18, 245 (1984) 10.1002/qua.560260825;, in, NATO ASI Series Vol. 166, edited by P. Jørgensen and J. Simons (Reidel, Dordrecht, The Netherlands, 1986), 35-61.
    • E. A. Salter, G. Trucks, and R. J. Bartlett, J. Chem. Phys. 0021-9606 90, 1752 (1989) 10.1063/1.456069; E. A. Salter and R. J. Bartlett, J. Chem. Phys. 0021-9606 90, 1767 (1989) 10.1063/1.456070; L. Adamowicz, W. D. Laidig, and R. J. Bartlett, Int. J. Quantum Chem. 0020-7608 18, 245 (1984) 10.1002/qua. 560260825; R. J. Bartlett, in Geometrical Derivatives of Energy Surfaces and Molecular Properties, NATO ASI Series Vol. 166, edited by, P. Jørgensen, and, J. Simons, (Reidel, Dordrecht, The Netherlands, 1986), p. 35-61.
    • (1989) Geometrical Derivatives of Energy Surfaces and Molecular Properties , vol.90 , pp. 1752
    • Salter, E.A.1    Trucks, G.2    Bartlett, R.J.3    Salter, E.A.4    Bartlett, R.J.5    Adamowicz, L.6    Laidig, W.D.7    Bartlett, R.J.8    Bartlett, R.J.9
  • 4
    • 0342450670 scopus 로고
    • 0040-5744, () 10.1007/BF00557928;, Chem. Phys. Lett. 0009-2614 150, 29 (1988) 10.1016/0009-2614(88)80392-0;, J. Chem. Phys. 0021-9606 99, 5178 (1993). 10.1063/1.466019
    • S. Pal, M. D. Prasad, and D. Mukherjee, Theor. Chim. Acta 0040-5744 62, 523 (1983) 10.1007/BF00557928; R. J. Bartlett and J. Noga, Chem. Phys. Lett. 0009-2614 150, 29 (1988) 10.1016/0009-2614(88)80392-0; J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 0021-9606 99, 5178 (1993). 10.1063/1.466019
    • (1983) Theor. Chim. Acta , vol.62 , pp. 523
    • Pal, S.1    Prasad, M.D.2    Mukherjee, D.3    Bartlett, R.J.4    Noga, J.5    Stanton, J.F.6    Bartlett, R.J.7
  • 5
    • 0001334147 scopus 로고
    • 0003-3804, () 10.1016/0003-4916(83)90284-1;, Phys. Rev. A 1050-2947 36, 2519 (1987). 10.1103/PhysRevA.36.2519
    • J. S. Arponen, Ann. Phys. 0003-3804 151, 311 (1983) 10.1016/0003-4916(83) 90284-1; J. S. Arponen, R. F. Bishop, and E. Pajanne, Phys. Rev. A 1050-2947 36, 2519 (1987). 10.1103/PhysRevA.36.2519
    • (1983) Ann. Phys. , vol.151 , pp. 311
    • Arponen, J.S.1    Arponen, J.S.2    Bishop, R.F.3    Pajanne, E.4
  • 6
    • 0000292809 scopus 로고    scopus 로고
    • 1050-2947, () 10.1103/PhysRevA.54.250;, Int. J. Mol. Sci. 1422-0067 2, 89 (2001) 10.3390/i2020089;, Chem. Phys. Lett. 0009-2614 387, 442 (2004). 10.1016/j.cplett.2004.02.050
    • N. Vaval and S. Pal, Phys. Rev. A 1050-2947 54, 250 (1996) 10.1103/PhysRevA.54.250; N. Vaval, A. B. Kumar, and S. Pal, Int. J. Mol. Sci. 1422-0067 2, 89 (2001) 10.3390/i2020089; P. U. Manohar, N. Vaval, and S. Pal, Chem. Phys. Lett. 0009-2614 387, 442 (2004). 10.1016/j.cplett.2004.02.050
    • (1996) Phys. Rev. A , vol.54 , pp. 250
    • Vaval, N.1    Pal, S.2    Vaval, N.3    Kumar, A.B.4    Pal, S.5    Manohar, P.U.6    Vaval, N.7    Pal, S.8
  • 7
    • 0001604933 scopus 로고
    • 0021-9606, () 10.1063/1.455152;, Theor. Chim. Acta 0040-5744 75, 111 (1989) 10.1007/BF00527713;, J. Chem. Phys. 0021-9606 92, 4924 (1990) 10.1063/1.457710;, J. Chem. Phys. 0021-9606 104, 2574 (1996) 10.1063/1.471005;, Chem. Rev. (Washington, D.C.) 0009-2665 99, 293 (1999). 10.1021/cr960017t
    • P. Jørgensen and T. Helgaker, J. Chem. Phys. 0021-9606 89, 1560 (1988) 10.1063/1.455152; T. Helgaker and P. Jørgensen, Theor. Chim. Acta 0040-5744 75, 111 (1989) 10.1007/BF00527713; H. Koch, H. J. Aa. Jensen, P. Jørgensen, T. Helgaker, G. E. Scuseria, and H. F. Schaefer III, J. Chem. Phys. 0021-9606 92, 4924 (1990) 10.1063/1.457710; J. Gauss and J. F. Stanton, J. Chem. Phys. 0021-9606 104, 2574 (1996) 10.1063/1.471005; T. Helgaker, M. Jaszunski, and K. Ruud, Chem. Rev. (Washington, D.C.) 0009-2665 99, 293 (1999). 10.1021/cr960017t
    • (1988) J. Chem. Phys. , vol.89 , pp. 1560
    • Jørgensen, P.1    Helgaker, T.2    Helgaker, T.3    Jørgensen, P.4    Koch, H.5    Jensen, H.J.Aa.6    Jørgensen, P.7    Helgaker, T.8    Scuseria, G.E.9    Iii, F.S.H.10    Gauss, J.11    Stanton, J.F.12    Helgaker, T.13    Jaszunski, M.14    Ruud, K.15
  • 8
    • 33748572588 scopus 로고    scopus 로고
    • 0166-1280,. 10.1016/j.theochem.2006.05.021
    • M. Kállay and J. Gauss, J. Mol. Struct.: THEOCHEM 0166-1280 768, 71 (2006). 10.1016/j.theochem.2006.05.021
    • (2006) J. Mol. Struct.: THEOCHEM , vol.768 , pp. 71
    • Kállay, M.1    Gauss, J.2
  • 10
    • 0037439937 scopus 로고    scopus 로고
    • 0021-9606, () 10.1063/1.1523905;, Chem. Phys. Lett. 0009-2614 391, 27 (2004) 10.1016/j.cplett.2004.04.055;, Chem. Phys. Lett. 0009-2614 269, 428 (1997). 10.1016/S0009-2614(97)00311-4
    • K. Hald, P. Pawowski, and C. Hättig, J. Chem. Phys. 0021-9606 118, 1292 (2003) 10.1063/1.1523905; F. Pawowski, P. Jørgensen, and C. Hättig, Chem. Phys. Lett. 0009-2614 391, 27 (2004) 10.1016/j.cplett.2004. 04.055; C. Hättig, O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 0009-2614 269, 428 (1997). 10.1016/S0009-2614(97)00311-4
    • (2003) J. Chem. Phys. , vol.118 , pp. 1292
    • Hald, K.1    Pawowski, P.2    Hättig, C.3    Pawowski, F.4    Jørgensen, P.5    Hättig, C.6    Hättig, C.7    Christiansen, O.8    Koch, H.9    Jørgensen, P.10
  • 12
    • 85034878896 scopus 로고
    • 0040-5744, () 10.1007/BF02394557;, Int. J. Quantum Chem. 0020-7608 18, 1229 (1980) 10.1002/qua.560180510;, Int. J. Quantum Chem. 0020-7608 S15, 91 (1981);, Mol. Phys. 0026-8976 48, 923 (1983). 10.1080/00268978300100661
    • R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta 0040-5744 35, 33 (1974) 10.1007/BF02394557; P. E. M. Siegbahn, Int. J. Quantum Chem. 0020-7608 18, 1229 (1980) 10.1002/qua.560180510; J. Lischka, R. Shepard, F. B. Brown, and I. Shavitt, Int. J. Quantum Chem. 0020-7608 S15, 91 (1981); V. R. Saunders and J. H. van Lenthe, Mol. Phys. 0026-8976 48, 923 (1983). 10.1080/00268978300100661
    • (1974) Theor. Chim. Acta , vol.35 , pp. 33
    • Buenker, R.J.1    Peyerimhoff, S.D.2    Siegbahn, P.E.M.3    Lischka, J.4    Shepard, R.5    Brown, F.B.6    Shavitt, I.7    Saunders, V.R.8    Van Lenthe, J.H.9
  • 14
    • 0037748215 scopus 로고
    • in, Advanced Series in Physical Chemistry Vol., edited by D. R. Yarkony (World Scientific, Singapore),;, J. Chem. Phys. 0021-9606 114, 1133 (2001). 10.1063/1.1332992
    • M. R. Hoffmann, in Modern Electronic Structure Theory, Part II, Advanced Series in Physical Chemistry Vol. 2, edited by, D. R. Yarkony, (World Scientific, Singapore, 1995), p. 1166; H. Nakano, J. Nakatani, and K. Hirao, J. Chem. Phys. 0021-9606 114, 1133 (2001). 10.1063/1.1332992
    • (1995) Modern Electronic Structure Theory, Part II , vol.2 , pp. 1166
    • Hoffmann, M.R.1    Nakano, H.2    Nakatani, J.3    Hirao, K.4
  • 15
    • 51249181301 scopus 로고
    • 0304-4289,. 10.1007/BF02846388
    • D. Mukherjee, Pramana 0304-4289 12, 203 (1979). 10.1007/BF02846388
    • (1979) Pramana , vol.12 , pp. 203
    • Mukherjee, D.1
  • 16
    • 49249148313 scopus 로고
    • 0009-2614, () 10.1016/0009-2614(79)80379-6;, J. Chem. Phys. 0021-9606 77, 3081 (1982). 10.1063/1.444231
    • H. Reitz and W. Kutzelnigg, Chem. Phys. Lett. 0009-2614 66, 111 (1979) 10.1016/0009-2614(79)80379-6; W. Kutzelnigg, J. Chem. Phys. 0021-9606 77, 3081 (1982). 10.1063/1.444231
    • (1979) Chem. Phys. Lett. , vol.66 , pp. 111
    • Reitz, H.1    Kutzelnigg, W.2    Kutzelnigg, W.3
  • 17
    • 0000111919 scopus 로고
    • 0009-2614, () 10.1016/0009-2614(85)85242-8;, Chem. Phys. Lett. 0009-2614 120, 261 (1985). 10.1016/0009-2614(85)87054-8
    • M. Haque and U. Kaldor, Chem. Phys. Lett. 0009-2614 117, 347 (1985) 10.1016/0009-2614(85)85242-8; M. Haque and U. Kaldor, Chem. Phys. Lett. 0009-2614 120, 261 (1985). 10.1016/0009-2614(85)87054-8
    • (1985) Chem. Phys. Lett. , vol.117 , pp. 347
    • Haque, M.1    Kaldor, U.2    Haque, M.3    Kaldor, U.4
  • 18
    • 0022138699 scopus 로고
    • 0031-8949,. 10.1088/0031-8949/32/4/009
    • I. Lindgren, Phys. Scr. 0031-8949 32, 291 (1985). 10.1088/0031-8949/32/4/ 009
    • (1985) Phys. Scr. , vol.32 , pp. 291
    • Lindgren, I.1
  • 19
    • 84913299602 scopus 로고
    • 0253-4134, () 10.1007/BF02974147;, Chem. Phys. Lett. 0009-2614 125, 207 (1986) 10.1016/0009-2614(86)87050-6;, Int. J. Quantum Chem., Sym 20, 409 (1986). 10.1002/qua.560300737
    • D. Mukherjee, Proc.-Indian Acad. Sci., Chem. Sci. 0253-4134 96, 145 (1986) 10.1007/BF02974147; D. Mukherjee, Chem. Phys. Lett. 0009-2614 125, 207 (1986) 10.1016/0009-2614(86)87050-6; D. Mukherjee, Int. J. Quantum Chem., Symp. 20, 409 (1986). 10.1002/qua.560300737
    • (1986) Proc.-Indian Acad. Sci., Chem. Sci. , vol.96 , pp. 145
    • Mukherjee, D.1    Mukherjee, D.2    Mukherjee, D.3
  • 21
    • 84899103692 scopus 로고
    • 0065-2385, () 10.1002/9780470142936.ch6;, Phys. Rev. A 1050-2947 35, 4930 (1987). 10.1103/PhysRevA.35.4930
    • P. Durand and J. P. Malrieu, Adv. Chem. Phys. 0065-2385 67, 321 (1987) 10.1002/9780470142936.ch6; S. Evangelisti, J. P. Daudey, and J. P. Malrieu, Phys. Rev. A 1050-2947 35, 4930 (1987). 10.1103/PhysRevA.35.4930
    • (1987) Adv. Chem. Phys. , vol.67 , pp. 321
    • Durand, P.1    Malrieu, J.P.2    Evangelisti, S.3    Daudey, J.P.4    Malrieu, J.P.5
  • 22
    • 84990666030 scopus 로고
    • 0020-7608, () 10.1002/qua.560340607;, Chem. Phys. Lett. 0009-2614 255, 244 (1996) 10.1016/0009-2614(96)00400-9;, J. Chem. Phys. 0021-9606 108, 9227 (1998). 10.1063/1.476377
    • L. Meissner, K. Jankowski, and J. Wasilewski, Int. J. Quantum Chem. 0020-7608 34, 535 (1988) 10.1002/qua.560340607; L. Meissner, Chem. Phys. Lett. 0009-2614 255, 244 (1996) 10.1016/0009-2614(96)00400-9; L. Meissner, J. Chem. Phys. 0021-9606 108, 9227 (1998). 10.1063/1.476377
    • (1988) Int. J. Quantum Chem. , vol.34 , pp. 535
    • Meissner, L.1    Jankowski, K.2    Wasilewski, J.3    Meissner, L.4    Meissner, L.5
  • 26
    • 67650763371 scopus 로고
    • 0370-1573,. 10.1016/0370-1573(87)90073-1
    • I. Lindgren and D. Mukherjee, Phys. Rep. 0370-1573 151, 93 (1987). 10.1016/0370-1573(87)90073-1
    • (1987) Phys. Rep. , vol.151 , pp. 93
    • Lindgren, I.1    Mukherjee, D.2
  • 28
    • 0000347138 scopus 로고
    • 0065-3276,. 10.1016/S0065-3276(08)60629-2
    • D. Mukherjee and S. Pal, Adv. Quantum Chem. 0065-3276 20, 291 (1989). 10.1016/S0065-3276(08)60629-2
    • (1989) Adv. Quantum Chem. , vol.20 , pp. 291
    • Mukherjee, D.1    Pal, S.2
  • 29
    • 36549100024 scopus 로고
    • 0021-9606, () 10.1063/1.458814;, J. Chem. Phys. 0021-9606 93, 3345 (1990) 10.1063/1.458815;, Int. J. Quantum Chem. 0020-7608 18, 255 (1984).
    • H. Koch and P. Jørgensen, J. Chem. Phys. 0021-9606 93, 3333 (1990) 10.1063/1.458814; H. Koch, H. J. A. Jensen, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 0021-9606 93, 3345 (1990) 10.1063/1.458815; H. Sckind and R. J. Bartlett, Int. J. Quantum Chem. 0020-7608 18, 255 (1984).
    • (1990) J. Chem. Phys. , vol.93 , pp. 3333
    • Koch, H.1    Jørgensen, P.2    Koch, H.3    Jensen, H.J.A.4    Jørgensen, P.5    Helgaker, T.6    Sckind, H.7    Bartlett, R.J.8
  • 30
    • 0000198328 scopus 로고
    • 0301-0104,. 10.1016/0301-0104(79)80153-6
    • D. Mukherjee and P. K. Mukherjee, Chem. Phys. 0301-0104 39, 325 (1979). 10.1016/0301-0104(79)80153-6
    • (1979) Chem. Phys. , vol.39 , pp. 325
    • Mukherjee, D.1    Mukherjee, P.K.2
  • 32
    • 36749111718 scopus 로고
    • 0021-9606, () 10.1063/1.436028;, Chem. Phys. Lett. 0009-2614 67, 324 (1979) 10.1016/0009-2614(79)85171-4;, Chem. Phys. Lett. 0009-2614 67, 329 (1979) 10.1016/0009-2614(79)85172-6;, Chem. Phys. Lett. 0009-2614 111, 533 (1984) 10.1016/0009-2614(84)80266-3;, J. Chem. Phys. 0021-9606 83, 1433 (1985) 10.1063/1.449414;, Theor. Chim. Acta 0040-5744 71, 231 (1987) 10.1007/BF00526418;, Chem. Phys. Lett. 0009-2614 139, 155 (1987) 10.1016/0009-2614(87)80169-0;, Chem. Phys. Lett. 179, 555 (1991) 10.1016/0009-2614(91)87102-H
    • H. Nakatsuji and K. Hirao, J. Chem. Phys. 0021-9606 68, 2053 (1978) 10.1063/1.436028; H. Nakatsuji, Chem. Phys. Lett. 0009-2614 67, 324 (1979) 10.1016/0009-2614(79)85171-4; H. Nakatsuji, Chem. Phys. Lett. 0009-2614 67, 329 (1979) 10.1016/0009-2614(79)85172-6; K. Hirao and Y. Hatano, Chem. Phys. Lett. 0009-2614 111, 533 (1984) 10.1016/0009-2614(84)80266-3; K. Hirao, J. Chem. Phys. 0021-9606 83, 1433 (1985) 10.1063/1.449414; K. Hirao, Theor. Chim. Acta 0040-5744 71, 231 (1987) 10.1007/BF00526418; H. Wasada and K. Hirao, Chem. Phys. Lett. 0009-2614 139, 155 (1987) 10.1016/0009-2614(87)80169-0; H. Nakatsuji, K. Hirao, and Y. Mizukami, Chem. Phys. Lett. 179, 555 (1991) 10.1016/0009-2614(91) 87102-H
    • (1978) J. Chem. Phys. , vol.68 , pp. 2053
    • Nakatsuji, H.1    Hirao, K.2    Nakatsuji, H.3    Nakatsuji, H.4    Hirao, K.5    Hatano, Y.6    Hirao, K.7    Hirao, K.8    Wasada, H.9    Hirao, K.10    Nakatsuji, H.11    Hirao, K.12    Mizukami, Y.13
  • 33
    • 0001925878 scopus 로고
    • in, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York), Vol.,.
    • 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, p. 65.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65
    • Bartlett, R.J.1    Stanton, J.F.2
  • 35
    • 26144450008 scopus 로고
    • 0009-2614,. 10.1016/0009-2614(93)89023-B
    • D. C. Comeau and R. J. Bartlett, Chem. Phys. Lett. 0009-2614 207, 414 (1993). 10.1016/0009-2614(93)89023-B
    • (1993) Chem. Phys. Lett. , vol.207 , pp. 414
    • Comeau, D.C.1    Bartlett, R.J.2
  • 37
    • 36448999561 scopus 로고
    • 0021-9606,. 10.1063/1.468022
    • J. F. Stanton and J. Gauss, J. Chem. Phys. 0021-9606 101, 8938 (1994). 10.1063/1.468022
    • (1994) J. Chem. Phys. , vol.101 , pp. 8938
    • Stanton, J.F.1    Gauss, J.2
  • 38
    • 0000835501 scopus 로고
    • 0021-9606, () 10.1063/1.468592;, J. Chem. Phys. 0021-9606 102, 6735 (1995). 10.1063/1.469147
    • M. Nooijen and R. J. Bartlett, J. Chem. Phys. 0021-9606 102, 3629 (1995) 10.1063/1.468592; M. Nooijen and R. J. Bartlett, J. Chem. Phys. 0021-9606 102, 6735 (1995). 10.1063/1.469147
    • (1995) J. Chem. Phys. , vol.102 , pp. 3629
    • Nooijen, M.1    Bartlett, R.J.2    Nooijen, M.3    Bartlett, R.J.4
  • 39
    • 37549014315 scopus 로고    scopus 로고
    • 0066-426X,. 10.1146/annurev.physchem.59.032607.093602
    • A. I. Krylov, Annu. Rev. Phys. Chem. 0066-426X 59, 433 (2008). 10.1146/annurev.physchem.59.032607.093602
    • (2008) Annu. Rev. Phys. Chem. , vol.59 , pp. 433
    • Krylov, A.I.1
  • 41
    • 23544451437 scopus 로고
    • 0009-2614,. 10.1016/0009-2614(94)01434-W
    • J. D. Watts and R. J. Bartlett, Chem. Phys. Lett. 0009-2614 233, 81 (1995). 10.1016/0009-2614(94)01434-W
    • (1995) Chem. Phys. Lett. , vol.233 , pp. 81
    • Watts, J.D.1    Bartlett, R.J.2
  • 42
    • 2342477458 scopus 로고    scopus 로고
    • 0021-9606, () 10.1063/1.473635;, J. Chem. Phys. 0021-9606 107, 6812 (1997). 10.1063/1.474922
    • M. Nooijen and R. J. Bartlett, J. Chem. Phys. 0021-9606 106, 6449 (1997) 10.1063/1.473635; M. Nooijen and R. J. Bartlett, J. Chem. Phys. 0021-9606 107, 6812 (1997). 10.1063/1.474922
    • (1997) J. Chem. Phys. , vol.106 , pp. 6449
    • Nooijen, M.1    Bartlett, R.J.2    Nooijen, M.3    Bartlett, R.J.4
  • 43
    • 0000621233 scopus 로고    scopus 로고
    • 0009-2614, () 10.1016/S0009-2614(01)00287-1;, J. Chem. Phys. 0021-9606 116, 3194 (2002) 10.1063/1.1445116;, Acc. Chem. Res. 0001-4842 39, 83 (2006). 10.1021/ar0402006
    • A. I. Krylov, Chem. Phys. Lett. 0009-2614 338, 375 (2001) 10.1016/S0009-2614(01)00287-1; A. I. Krylov and C. D. Sherrill, J. Chem. Phys. 0021-9606 116, 3194 (2002) 10.1063/1.1445116; A. I. Krylov, Acc. Chem. Res. 0001-4842 39, 83 (2006). 10.1021/ar0402006
    • (2001) Chem. Phys. Lett. , vol.338 , pp. 375
    • Krylov, A.I.1    Krylov, A.I.2    Sherrill, C.D.3    Krylov, A.I.4
  • 44
    • 0001039562 scopus 로고
    • in, Advanced Series in Physical Chemistry Vol., edited by D. R. Yarkony (World Scientific, Singapore),;, Theor. Chim. Acta 0040-5744 80, 441 (1991). 10.1007/BF01119665
    • R. J. Bartlett, in Modern Electronic Structure Theory, Part II, Advanced Series in Physical Chemistry Vol. 2, edited by, D. R. Yarkony, (World Scientific, Singapore, 1995), p. 1047; D. Mukhopadhyay, S. Mukhopadhyay, R. Chaudhuri, and D. Mukherjee, Theor. Chim. Acta 0040-5744 80, 441 (1991). 10.1007/BF01119665
    • (1995) Modern Electronic Structure Theory, Part II , vol.2 , pp. 1047
    • Bartlett, R.J.1    Mukhopadhyay, D.2    Mukhopadhyay, S.3    Chaudhuri, R.4    Mukherjee, D.5
  • 45
    • 0000197688 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.474000
    • M. Nooijen and R. J. Bartlett, J. Chem. Phys. 0021-9606 106, 6441 (1997). 10.1063/1.474000
    • (1997) J. Chem. Phys. , vol.106 , pp. 6441
    • Nooijen, M.1    Bartlett, R.J.2
  • 47
    • 0001499394 scopus 로고
    • 0021-9606,. 10.1063/1.465552
    • J. F. Stanton, J. Chem. Phys. 0021-9606 99, 8840 (1993). 10.1063/1.465552
    • (1993) J. Chem. Phys. , vol.99 , pp. 8840
    • Stanton, J.F.1
  • 50
    • 0002906246 scopus 로고
    • 1050-2947, () 10.1103/PhysRevA.39.39;, Int. J. Quantum Chem. 0020-7608 41, 443 (1992). 10.1002/qua.560410307
    • S. Pal, Phys. Rev. A 1050-2947 39, 39 (1989) 10.1103/PhysRevA.39.39; S. Pal, Int. J. Quantum Chem. 0020-7608 41, 443 (1992). 10.1002/qua.560410307
    • (1989) Phys. Rev. A , vol.39 , pp. 39
    • Pal, S.1    Pal, S.2
  • 51
    • 0001550367 scopus 로고    scopus 로고
    • 1050-2947, () 10.1103/PhysRevA.56.2658;, Chem. Phys. Lett. 0009-2614 309, 457 (1999) 10.1016/S0009-2614(99)00702-2;, J. Chem. Phys. 0021-9606 114, 3380 (2001). 10.1063/1.1343901
    • D. Ajitha and S. Pal, Phys. Rev. A 1050-2947 56, 2658 (1997) 10.1103/PhysRevA.56.2658; D. Ajitha and S. Pal, Chem. Phys. Lett. 0009-2614 309, 457 (1999) 10.1016/S0009-2614(99)00702-2; D. Ajitha and S. Pal, J. Chem. Phys. 0021-9606 114, 3380 (2001). 10.1063/1.1343901
    • (1997) Phys. Rev. A , vol.56 , pp. 2658
    • Ajitha, D.1    Pal, S.2    Ajitha, D.3    Pal, S.4    Ajitha, D.5    Pal, S.6
  • 52
    • 0000427779 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.477967
    • D. Ajitha, N. Vaval, and S. Pal, J. Chem. Phys. 0021-9606 110, 2316 (1999). 10.1063/1.477967
    • (1999) J. Chem. Phys. , vol.110 , pp. 2316
    • Ajitha, D.1    Vaval, N.2    Pal, S.3
  • 53
    • 0035250025 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.1343901
    • D. Ajitha and S. Pal, J. Chem. Phys. 0021-9606 114, 3380 (2001). 10.1063/1.1343901
    • (2001) J. Chem. Phys. , vol.114 , pp. 3380
    • Ajitha, D.1    Pal, S.2
  • 57
    • 84987142324 scopus 로고
    • 0020-7608,. 10.1002/qua.560550210
    • P. Szalay, Int. J. Quantum Chem. 0020-7608 55, 151 (1995). 10.1002/qua.560550210
    • (1995) Int. J. Quantum Chem. , vol.55 , pp. 151
    • Szalay, P.1
  • 58
    • 33748521554 scopus 로고    scopus 로고
    • 0166-1280, () 10.1016/j.theochem.2006.05.022;, Chem. Phys. Lett. 0009-2614 438, 321 (2007). 10.1016/j.cplett.2007.02.075
    • P. U. Manohar, N. Vaval, and S. Pal, J. Mol. Struct.: THEOCHEM 0166-1280 768, 91 (2006) 10.1016/j.theochem.2006.05.022; P. U. Manohar and S. Pal, Chem. Phys. Lett. 0009-2614 438, 321 (2007). 10.1016/j.cplett.2007.02.075
    • (2006) J. Mol. Struct.: THEOCHEM , vol.768 , pp. 91
    • Manohar, P.U.1    Vaval, N.2    Pal, S.3    Manohar, P.U.4    Pal, S.5
  • 59
    • 67650745298 scopus 로고    scopus 로고
    • 0094-243X,. 10.1063/1.2827017
    • P. U. Manohar and S. Pal, AIP Conf. Proc. 0094-243X 963, 337 (2007). 10.1063/1.2827017
    • (2007) AIP Conf. Proc. , vol.963 , pp. 337
    • Manohar, P.U.1    Pal, S.2
  • 61
    • 49149126182 scopus 로고    scopus 로고
    • 0021-9606, () 10.1063/1.2952521;, J. Chem. Phys. 0021-9606 129, 244111 (2008). 10.1063/1.3046453
    • M. Musial and R. J. Bartlett, J. Chem. Phys. 0021-9606 129, 44101 (2008) 10.1063/1.2952521; M. Musial and R. J. Bartlett, J. Chem. Phys. 0021-9606 129, 244111 (2008). 10.1063/1.3046453
    • (2008) J. Chem. Phys. , vol.129 , pp. 44101
    • Musial, M.1    Bartlett, R.J.2    Musial, M.3    Bartlett, R.J.4
  • 64
    • 27844472695 scopus 로고
    • in, Lecture Notes in Chemistry Vol., edited by D. Mukherjee (Springer-Verlag, Heidelberg),.
    • W. Kutzelnigg, in Aspects of Many-Body Effects in Molecules and Extended Systems, Lecture Notes in Chemistry Vol. 50, edited by, D. Mukherjee, (Springer-Verlag, Heidelberg, 1989), p. 35.
    • (1989) Aspects of Many-Body Effects in Molecules and Extended Systems , vol.50 , pp. 35
    • Kutzelnigg, W.1
  • 65
    • 67650730153 scopus 로고    scopus 로고
    • All bases used in this article were taken from.
    • All bases used in this article were taken from http://www.emsl.pnl.gov/ forms/basisform.html.
  • 69
    • 0000344761 scopus 로고
    • 0021-9606,. 10.1063/1.433909
    • K. M. Mack and J. S. Muenter, J. Chem. Phys. 0021-9606 66, 5278 (1977). 10.1063/1.433909
    • (1977) J. Chem. Phys. , vol.66 , pp. 5278
    • MacK, K.M.1    Muenter, J.S.2


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