-
6
-
-
58149324359
-
-
10.1016/0009-2614(95)00914-P
-
H. Koch, O. Christiansen, P. Jrgensen, and J. Olsen, Chem. Phys. Lett., 244, 75 (1995). 10.1016/0009-2614(95)00914-P
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 75
-
-
Koch, H.1
Christiansen, O.2
Jrgensen, P.3
Olsen, J.4
-
8
-
-
33845956253
-
-
10.1103/PhysRev.78.382
-
S. M. Dancoff, Phys. Rev. 78, 382 (1950). 10.1103/PhysRev.78.382
-
(1950)
Phys. Rev.
, vol.78
, pp. 382
-
-
Dancoff, S.M.1
-
10
-
-
0001212624
-
-
10.1063/1.458815
-
H. Koch, H. J. A. Jensen, P. Jrgensen, and T. Helgaker, J. Chem. Phys. 93, 3345 (1990). 10.1063/1.458815
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3345
-
-
Koch, H.1
Jensen, H.J.A.2
Jrgensen, P.3
Helgaker, T.4
-
12
-
-
0035827743
-
2 molecule
-
DOI 10.1063/1.1379332
-
K. Hald, P. Jrgensen, J. Olsen, and M. Jaszuski, J. Chem. Phys. 115, 671 (2001). 10.1063/1.1379332 (Pubitemid 32680600)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.2
, pp. 671-679
-
-
Hald, K.1
Jorgensen, P.2
Olsen, J.3
Jaszunski, M.4
-
13
-
-
10844232947
-
Calculation of excited-state properties using general coupled-cluster and configuration-interaction models
-
DOI 10.1063/1.1805494
-
M. Kllay and J. Gauss, J. Chem. Phys. 121, 9257 (2004). 10.1063/1.1805494 (Pubitemid 40001690)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.19
, pp. 9257-9269
-
-
Kallay, M.1
Gauss, J.2
-
14
-
-
0002747967
-
-
10.1007/BF01113535
-
M. Hser, Theor. Chem. Acc. 87, 147 (1993). 10.1007/BF01113535
-
(1993)
Theor. Chem. Acc.
, vol.87
, pp. 147
-
-
Hser, M.1
-
16
-
-
27644470116
-
Rigorous integral screening for electron correlation methods
-
DOI 10.1063/1.2079987, 184102
-
D. S. Lambrecht, B. Doser, and C. Ochsenfeld, J. Chem. Phys. 123, 184102 (2005). 10.1063/1.2079987 (Pubitemid 41580097)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.18
, pp. 1-11
-
-
Lambrecht, D.S.1
Doser, B.2
Ochsenfeld, C.3
-
18
-
-
17044418459
-
-
10.1016/0009-2614(92)85587-Z
-
H. Stoll, Chem. Phys. Lett. 191, 548 (1992). 10.1016/0009-2614(92)85587-Z
-
(1992)
Chem. Phys. Lett.
, vol.191
, pp. 548
-
-
Stoll, H.1
-
19
-
-
34247330993
-
Fully automated implementation of the incremental scheme: Application to CCSD energies for hydrocarbons and transition metal compounds
-
DOI 10.1063/1.2721538
-
J. Friedrich, M. Hanrath, and M. Dolg, J. Phys. Chem. 126, 154110 (2007). 10.1063/1.2721538 (Pubitemid 46644912)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.15
, pp. 154110
-
-
Friedrich, J.1
Hanrath, M.2
Dolg, M.3
-
20
-
-
77954577252
-
-
10.1063/1.3456535
-
M. Zikowski, B. Jansk, T. Kjrgaard, and P. Jrgensen, J. Chem. Phys. 133, 014107 (2010). 10.1063/1.3456535
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 014107
-
-
Zikowski, M.1
Jansk, B.2
Kjrgaard, T.3
Jrgensen, P.4
-
21
-
-
0001701339
-
-
10.1016/0009-2614(83)80703-9
-
P. Pulay, Chem. Phys. Lett. 100, 151 (1983). 10.1016/0009-2614(83)80703-9
-
(1983)
Chem. Phys. Lett.
, vol.100
, pp. 151
-
-
Pulay, P.1
-
24
-
-
0037618360
-
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
-
DOI 10.1063/1.1330207
-
M. Schtz and H.-J. Werner, J. Chem. Phys. 114, 661 (2001). 10.1063/1.1330207 (Pubitemid 32138502)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.2
, pp. 661-681
-
-
Schutz, M.1
Werner, H.-J.2
-
27
-
-
33748706208
-
Local CC2 electronic excitation energies for large molecules with density fitting
-
DOI 10.1063/1.2339021
-
D. Kats, T. Korona, and M. Schtz, J. Chem. Phys. 125, 104106 (2006). 10.1063/1.2339021 (Pubitemid 44396486)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.10
, pp. 104106
-
-
Kats, D.1
Korona, T.2
Schutz, M.3
-
28
-
-
70349620956
-
-
10.1063/1.3237134
-
D. Kats and M. Schtz, J. Chem. Phys. 131, 124117 (2009). 10.1063/1.3237134
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 124117
-
-
Kats, D.1
Schtz, M.2
-
29
-
-
79551651556
-
-
10.1063/1.3522881
-
R. A. Mata and H. Stoll, J. Chem. Phys. 134, 034122 (2011). 10.1063/1.3522881
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 034122
-
-
Mata, R.A.1
Stoll, H.2
-
31
-
-
84987082509
-
-
10.1002/qua.560050839
-
W. Meyer, Int. J. Quantum Chem. 5, 341 (1971). 10.1002/qua.560050839
-
(1971)
Int. J. Quantum Chem.
, vol.5
, pp. 341
-
-
Meyer, W.1
-
32
-
-
36849101662
-
-
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
-
33
-
-
0037965411
-
-
10.1063/1.1680359
-
P. J. Hay, J. Chem. Phys. 59, 2468 (1973). 10.1063/1.1680359
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2468
-
-
Hay, P.J.1
-
34
-
-
0001117733
-
-
10.1007/BF00548478
-
W. Meyer, Theor. Chem. Acc. 35, 277 (1974). 10.1007/BF00548478
-
(1974)
Theor. Chem. Acc.
, vol.35
, pp. 277
-
-
Meyer, W.1
-
36
-
-
0001276598
-
-
10.1063/1.430637
-
R. Ahlrichs, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys. 62, 1225 (1975). 10.1063/1.430637
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 1225
-
-
Ahlrichs, R.1
Lischka, H.2
Staemmler, V.3
Kutzelnigg, W.4
-
37
-
-
0000404965
-
-
10.1063/1.430638
-
R. Ahlrichs, F. Driessler, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys. 62, 1235 (1975). 10.1063/1.430638
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 1235
-
-
Ahlrichs, R.1
Driessler, F.2
Lischka, H.3
Staemmler, V.4
Kutzelnigg, W.5
-
38
-
-
84947144861
-
-
10.1063/1.431073
-
R. Ahlrichs, F. Keil, H. Lischka, W. Kutzelnigg, and V. Staemmler, J. Chem. Phys. 63, 455 (1975). 10.1063/1.431073
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 455
-
-
Ahlrichs, R.1
Keil, F.2
Lischka, H.3
Kutzelnigg, W.4
Staemmler, V.5
-
40
-
-
0001526620
-
-
10.1063/1.431254
-
R. Ahlrichs, H. Lischka, B. Zurawski, and W. Kutzelnigg, J. Chem. Phys. 63, 4685 (1975). 10.1063/1.431254
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 4685
-
-
Ahlrichs, R.1
Lischka, H.2
Zurawski, B.3
Kutzelnigg, W.4
-
47
-
-
0001812255
-
-
10.1016/0009-2614(94)00070-0
-
M. Head-Gordon, R. J. Rico, M. Oumi, and T. J. Lee, Chem. Phys. Lett. 219, 21 (1994). 10.1016/0009-2614(94)00070-0
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 21
-
-
Head-Gordon, M.1
Rico, R.J.2
Oumi, M.3
Lee, T.J.4
-
48
-
-
0001309308
-
-
10.1063/1.471227
-
H. Koch, A. S. de Mers, T. Helgaker, and O. Christiansen, J. Chem. Phys. 104, 4157 (1996). 10.1063/1.471227
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4157
-
-
Koch, H.1
De Mers, A.S.2
Helgaker, T.3
Christiansen, O.4
-
50
-
-
0037444696
-
-
10.1063/1.1558471
-
R. L. Martin, J. Chem. Phys. 118, 4775 (2003). 10.1063/1.1558471
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 4775
-
-
Martin, R.L.1
-
54
-
-
84855205431
-
-
TURBOMOLE V6.3 2011, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from
-
TURBOMOLE V6.3 2011, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com.
-
-
-
-
56
-
-
0040759177
-
-
10.1016/S0009-2614(98)00862-8
-
F. Weigend, M. Hser, H. Patzelt, and R. Ahlrichs, Chem. Phys. Lett. 294, 143 (1998). 10.1016/S0009-2614(98)00862-8
-
(1998)
Chem. Phys. Lett.
, vol.294
, pp. 143
-
-
Weigend, F.1
Hser, M.2
Patzelt, H.3
Ahlrichs, R.4
-
57
-
-
26244461462
-
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
-
DOI 10.1039/b508541a
-
F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005). 10.1039/b508541a (Pubitemid 41412231)
-
(2005)
Physical Chemistry Chemical Physics
, vol.7
, Issue.18
, pp. 3297-3305
-
-
Weigend, F.1
Ahlrichs, R.2
-
58
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
60
-
-
0037154597
-
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
-
DOI 10.1063/1.1445115
-
F. Weigend, A. Khn, and C. Hättig, J. Chem. Phys. 116, 3175 (2002). 10.1063/1.1445115 (Pubitemid 34221281)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.8
, pp. 3175-3183
-
-
Weigend, F.1
Kohn, A.2
Hattig, C.3
-
61
-
-
41949111772
-
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
-
DOI 10.1063/1.2889385
-
M. Schreiber, M. R. Silva-Junior, S. P. A. Sauer, and W. Thiel, J. Chem. Phys. 128, 134110 (2008). 10.1063/1.2889385 (Pubitemid 351506424)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.13
, pp. 134110
-
-
Schreiber, M.1
Silva-Junior, M.R.2
Sauer, S.P.A.3
Thiel, W.4
-
63
-
-
84855194822
-
-
See supplementary material at http://dx.doi.org/10.1063/1.3664902 E-JCPSA6-135-006146 for input structures and states of our benchmark set.
-
-
-
-
65
-
-
36149005549
-
-
10.1103/RevModPhys.32.296
-
S. F. Boys, Rev. Mod. Phys. 32, 296 (1960). 10.1103/RevModPhys.32.296
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 296
-
-
Boys, S.F.1
-
67
-
-
77951121240
-
-
10.1080/00268970903549047
-
M. R. Silva-Junior, S. P. Sauer, M. Schreiber, and W. Thiel, Mol. Phys. 108, 453 (2010). 10.1080/00268970903549047
-
(2010)
Mol. Phys.
, vol.108
, pp. 453
-
-
Silva-Junior, M.R.1
Sauer, S.P.2
Schreiber, M.3
Thiel, W.4
|