-
1
-
-
0001802479
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
9
-
-
10844225583
-
-
0009-2614, () 10.1016/0009-2614(95)00841-Q;, J. Chem. Phys. 0021-9606 106, 1808 (1997). 10.1063/1.473322
-
O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 0009-2614 243, 409 (1995) 10.1016/0009-2614(95)00841-Q; H. Koch, O. Christiansen, P. Jørgensen, A. S. de Merás, and T. Helgaker, J. Chem. Phys. 0021-9606 106, 1808 (1997). 10.1063/1.473322
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
Koch, H.4
Christiansen, O.5
Jørgensen, P.6
De Merás, A.S.7
Helgaker, T.8
-
10
-
-
0037439937
-
-
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
-
11
-
-
0005015229
-
-
0021-9606,. 10.1063/1.474917
-
P. Rozyczko, A. Perera, M. Nooijen, and R. J. Bartlett, J. Chem. Phys. 0021-9606 107, 6736 (1997). 10.1063/1.474917
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 6736
-
-
Rozyczko, P.1
Perera, A.2
Nooijen, M.3
Bartlett, R.J.4
-
12
-
-
85034878896
-
-
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
-
13
-
-
0002438497
-
-
in, Advanced Series in Physical Chemistry Vol., edited by D. R. Yarkony (World Scientific, Singapore),;, Adv. Chem. Phys. 0065-2385 93, 219 (1996) 10.1002/9780470141526.ch5;, in, Recent Advances in Computational Chemistry Vol. 4, edited by K. Hirao (World Scientific, Singapore, 1999), 131.
-
K. Andersson and B. O. Roos, in Modern Electronic Structure Theory, Part I, Advanced Series in Physical Chemistry Vol. 2, edited by, D. R. Yarkony, (World Scientific, Singapore, 1995), p. 55; B. O. Roos, K. Anderson, M. P. Fulscher, P. A. Malmqvist, L. S. Andres, K. Pierloot, and M. Merchan, Adv. Chem. Phys. 0065-2385 93, 219 (1996) 10.1002/9780470141526.ch5; H. Nakano, N. Otsuka, and K. Hirao, in Analytic Energy Gradients for Second-Order Multireference Perturbation Theory, Recent Advances in Computational Chemistry Vol. 4, edited by, K. Hirao, (World Scientific, Singapore, 1999), p. 131.
-
(1995)
Modern Electronic Structure Theory, Part I, Analytic Energy Gradients for Second-Order Multireference Perturbation Theory
, vol.2
, pp. 55
-
-
Andersson, K.1
Roos, B.O.2
Roos, B.O.3
Anderson, K.4
Fulscher, M.P.5
Malmqvist, P.A.6
Andres, L.S.7
Pierloot, K.8
Merchan, M.9
Nakano, H.10
Otsuka, N.11
Hirao, K.12
-
14
-
-
0037748215
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
20
-
-
35949018809
-
-
1050-2947, () 10.1103/PhysRevA.24.1668;, J. Chem. Phys. 0021-9606 95, 4311 (1991). 10.1063/1.461754
-
B. Jezioroski and H. J. Monkhorst, Phys. Rev. A 1050-2947 24, 1668 (1981) 10.1103/PhysRevA.24.1668; A. Balkova, S. A. Kucharski, L. Meissner, and R. J. Bartlett, J. Chem. Phys. 0021-9606 95, 4311 (1991). 10.1063/1.461754
-
(1981)
Phys. Rev. A
, vol.24
, pp. 1668
-
-
Jezioroski, B.1
Monkhorst, H.J.2
Balkova, A.3
Kucharski, S.A.4
Meissner, L.5
Bartlett, R.J.6
-
21
-
-
84899103692
-
-
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
-
-
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
-
24
-
-
0040344696
-
-
0009-2614,. 10.1016/0009-2614(86)80361-X
-
D. Sinha, S. Mukhopadhyay, and D. Mukherjee, Chem. Phys. Lett. 0009-2614 129, 369 (1986). 10.1016/0009-2614(86)80361-X
-
(1986)
Chem. Phys. Lett.
, vol.129
, pp. 369
-
-
Sinha, D.1
Mukhopadhyay, S.2
Mukherjee, D.3
-
25
-
-
0000094026
-
-
0009-2614,. 10.1016/0009-2614(87)80218-X
-
S. Pal, M. Rittby, R. J. Bartlett, D. Sinha, and D. Mukherjee, Chem. Phys. Lett. 0009-2614 137, 273 (1987). 10.1016/0009-2614(87)80218-X
-
(1987)
Chem. Phys. Lett.
, vol.137
, pp. 273
-
-
Pal, S.1
Rittby, M.2
Bartlett, R.J.3
Sinha, D.4
Mukherjee, D.5
-
26
-
-
67650763371
-
-
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
-
27
-
-
36549091373
-
-
0021-9606,. 10.1063/1.453795
-
S. Pal, M. Rittby, R. J. Bartlett, D. Sinha, and D. Mukherjee, J. Chem. Phys. 0021-9606 88, 4357 (1988). 10.1063/1.453795
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 4357
-
-
Pal, S.1
Rittby, M.2
Bartlett, R.J.3
Sinha, D.4
Mukherjee, D.5
-
28
-
-
0000347138
-
-
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
-
-
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
-
-
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
-
31
-
-
0041811538
-
-
in, Lecture Notes in Chemistry Vol., edited by D. Mukherjee (Springer-Verlag, Heidelberg),.
-
H. Nakatsuji, O. Kitao, and M. Komori, 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. 101.
-
(1989)
Aspects of Many Body Effects in Molecules and Extended Systems
, vol.50
, pp. 101
-
-
Nakatsuji, H.1
Kitao, O.2
Komori, M.3
-
32
-
-
36749111718
-
-
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
-
-
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
-
34
-
-
4243864319
-
-
0009-2614,. 10.1016/0009-2614(89)85202-9
-
J. Geertsen, M. Rittby, and R. J. Bartlett, Chem. Phys. Lett. 0009-2614 164, 57 (1989). 10.1016/0009-2614(89)85202-9
-
(1989)
Chem. Phys. Lett.
, vol.164
, pp. 57
-
-
Geertsen, J.1
Rittby, M.2
Bartlett, R.J.3
-
35
-
-
26144450008
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
46
-
-
0041435329
-
-
in, edited by M. R. Hoffmann and K. G. Dyall (ACS), Vol., p;, J. Chem. Phys. 0021-9606 119, 10713 (2003). 10.1063/1.1619952
-
M. Wladyslawski and M. Nooijen, in Low-lying potential energy surfaces, ACS symposium series, edited by, M. R. Hoffmann, and, K. G. Dyall, (ACS, 2002), Vol. 828, pp. 65-92; M. Tobita, S. A. Perera, M. Musial, R. J. Bartlett, M. Nooijen, and J. S. Lee, J. Chem. Phys. 0021-9606 119, 10713 (2003). 10.1063/1.1619952
-
(2002)
Low-lying Potential Energy Surfaces, ACS Symposium Series
, vol.828
, pp. 65-92
-
-
Wladyslawski, M.1
Nooijen, M.2
Tobita, M.3
Perera, S.A.4
Musial, M.5
Bartlett, R.J.6
Nooijen, M.7
Lee, J.S.8
-
47
-
-
0001499394
-
-
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
-
49
-
-
0001912801
-
-
0021-9606,. 10.1063/1.479361
-
S. R. Gwaltney, R. J. Bartlett, and M. Nooijen, J. Chem. Phys. 0021-9606 111, 58 (1999). 10.1063/1.479361
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 58
-
-
Gwaltney, S.R.1
Bartlett, R.J.2
Nooijen, M.3
-
50
-
-
0002906246
-
-
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
-
-
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
-
-
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
-
-
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
-
55
-
-
2342488870
-
-
0021-9606,. 10.1063/1.1652436
-
K. R. Shamasundar, S. Asokan, and S. Pal, J. Chem. Phys. 0021-9606 120, 6381 (2004). 10.1063/1.1652436
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 6381
-
-
Shamasundar, K.R.1
Asokan, S.2
Pal, S.3
-
57
-
-
84987142324
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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
-
-
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.
-
-
-
-
66
-
-
33746563448
-
-
0021-9606 10.1039/b517914a
-
Y. Shao, L. Fusti Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. Distasio, Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. Van Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F,. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W.-Z. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill, and M. Head-Gordon, Phys. Chem.Chem. Phys. 8, 3172 (2006). 0021-9606 10.1039/b517914a
-
(2006)
Phys. Chem.Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Fusti Molnar, L.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
Distasio Jr., R.A.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.O.14
Besley, N.A.15
Herbert, J.M.16
Lin, C.Y.17
Van Voorhis, T.18
Chien, S.H.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.-Z.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Rhee, Y.M.50
Ritchie, J.51
Rosta, E.52
Sherrill, C.D.53
Simmonett, A.C.54
Subotnik, J.E.55
Iii, L.W.H.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
Chipman, D.M.60
Keil, F.J.61
Warshel, A.62
Hehre, W.J.63
Iii, F.S.H.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
67
-
-
0037255089
-
-
0010-0765,. 10.1135/cccc20030047
-
D. Ajitha, K. Hirao, and S. Pal, Collect. Czech. Chem. Commun. 0010-0765 68, 47 (2003). 10.1135/cccc20030047
-
(2003)
Collect. Czech. Chem. Commun.
, vol.68
, pp. 47
-
-
Ajitha, D.1
Hirao, K.2
Pal, S.3
-
69
-
-
0000344761
-
-
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
-
70
-
-
45349113036
-
-
0009-2614,. 10.1016/0009-2614(89)85373-4
-
J. Olsen, A. M. S. de Merás, H. J. Aa Jensen, and P. Jørgensen, Chem. Phys. Lett. 0009-2614 154, 380 (1989). 10.1016/0009-2614(89)85373-4
-
(1989)
Chem. Phys. Lett.
, vol.154
, pp. 380
-
-
Olsen, J.1
De Merás, A.M.S.2
Aa Jensen, H.J.3
Jørgensen, P.4
-
71
-
-
0034319445
-
-
0021-9606,. 10.1063/1.1312826
-
Z. -L. Cai, D. J. Tozer, and J. R. Reimers, J. Chem. Phys. 0021-9606 113, 7084 (2000). 10.1063/1.1312826
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7084
-
-
Cai, Z.-L.1
Tozer, D.J.2
Reimers, J.R.3
|