-
1
-
-
0033235339
-
-
10.1103/RevModPhys.71.1253
-
W. Kohn, Rev. Mod. Phys. 71, 1253 (1999). 10.1103/RevModPhys.71.1253
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1253
-
-
Kohn, W.1
-
2
-
-
34250817103
-
-
10.1063/1.464304
-
A. D. Becke, J. Chem. Phys. 98, 1372 (1993). 10.1063/1.464304
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
6
-
-
0000665709
-
-
10.1103/PhysRevA.29.1648
-
J. Harris, Phys. Rev. A 29, 1648 (1984). 10.1103/PhysRevA.29.1648
-
(1984)
Phys. Rev. A
, vol.29
, pp. 1648
-
-
Harris, J.1
-
7
-
-
0000189651
-
-
10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
8
-
-
4243553426
-
-
10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
10
-
-
33751157732
-
-
10.1021/j100096a001
-
P. Stephens, F. Devlin, C. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994). 10.1021/j100096a001
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.1
Devlin, F.2
Chabalowski, C.3
Frisch, M.J.4
-
12
-
-
31144454180
-
-
10.1063/1.2148954
-
S. Grimme, J. Chem. Phys. 124, 034108 (2006). 10.1063/1.2148954
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 034108
-
-
Grimme, S.1
-
14
-
-
58149147157
-
-
10.1021/jp801805p
-
A. Karton, A. Tarnopolsky, J.-F. Lamere, G. C. Schatz, and J. M. L. Martin, J. Phys. Chem. A 112, 12868 (2008). 10.1021/jp801805p
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12868
-
-
Karton, A.1
Tarnopolsky, A.2
Lamere, J.-F.3
Schatz, G.C.4
Martin, J.M.L.5
-
19
-
-
80052950351
-
-
10.1063/1.3640019
-
J. Toulouse, K. Sharkas, E. Brémond, and C. Adamo, J. Chem. Phys. 135, 101102 (2011). 10.1063/1.3640019
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 101102
-
-
Toulouse, J.1
Sharkas, K.2
Brémond, E.3
Adamo, C.4
-
21
-
-
84861572661
-
-
10.1016/j.cplett.2012.04.045
-
J.-D. Chai and S.-P. Mao, Chem. Phys. Lett. 538, 121 (2012). 10.1016/j.cplett.2012.04.045
-
(2012)
Chem. Phys. Lett.
, vol.538
, pp. 121
-
-
Chai, J.-D.1
Mao, S.-P.2
-
23
-
-
0035891014
-
-
10.1103/PhysRevB.64.195120
-
F. Furche, Phys. Rev. B 64, 195120 (2001). 10.1103/PhysRevB.64.195120
-
(2001)
Phys. Rev. B
, vol.64
, pp. 195120
-
-
Furche, F.1
-
24
-
-
22944448333
-
-
10.1063/1.1858371
-
M. Fuchs, Y. M. Niquet, X. Gonze, and K. Burke, J. Chem. Phys. 122, 094116 (2005). 10.1063/1.1858371
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094116
-
-
Fuchs, M.1
Niquet, Y.M.2
Gonze, X.3
Burke, K.4
-
27
-
-
84055200893
-
-
10.1073/pnas.1115123108
-
I. Y. Zhang, X. Xu, Y. Jung, and W. A. Goddard III, Proc. Natl. Acad. Sci. U.S.A. 108, 19896 (2011). 10.1073/pnas.1115123108
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 19896
-
-
Zhang, I.Y.1
Xu, X.2
Jung, Y.3
Goddard III, W.A.4
-
28
-
-
79955471670
-
-
10.1002/jcc.21764
-
I. Y. Zhang, J. Wu, Y. Luo, and X. Xu, J. Comput. Chem. 32, 1824 (2011). 10.1002/jcc.21764
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1824
-
-
Zhang, I.Y.1
Wu, J.2
Luo, Y.3
Xu, X.4
-
35
-
-
73949144505
-
-
10.1021/ct9003299
-
F. Neese, T. Schwabe, S. Kossmann, B. Schirmer, and S. Grimme, J. Chem. Theory Comput. 5, 3060 (2009). 10.1021/ct9003299
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 3060
-
-
Neese, F.1
Schwabe, T.2
Kossmann, S.3
Schirmer, B.4
Grimme, S.5
-
36
-
-
60349107791
-
-
10.1063/1.3072903
-
B. Doser, D. S. Lambrecht, J. Kussmann, and C. Ochsenfeld, J. Chem. Phys. 130, 064107 (2009). 10.1063/1.3072903
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 064107
-
-
Doser, B.1
Lambrecht, D.S.2
Kussmann, J.3
Ochsenfeld, C.4
-
37
-
-
79551611498
-
-
10.1063/1.3528935
-
J. Yang, Y. Kurashige, F. R. Manby, and G. K. L. Chan, J. Chem. Phys. 134, 044123 (2011). 10.1063/1.3528935
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 044123
-
-
Yang, J.1
Kurashige, Y.2
Manby, F.R.3
Chan, G.K.L.4
-
38
-
-
84855525463
-
-
10.1063/1.3667266
-
I.-M. Høyvik, K. Kristensen, B. Jansik, and P. Jørgensen, J. Chem. Phys. 136, 014105 (2012). 10.1063/1.3667266
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 014105
-
-
Høyvik, I.-M.1
Kristensen, K.2
Jansik, B.3
Jørgensen, P.4
-
39
-
-
33751029771
-
-
10.1007/BF01397032
-
E. A. Hylleraas, Z. Phys. 65, 209 (1930). 10.1007/BF01397032
-
(1930)
Z. Phys.
, vol.65
, pp. 209
-
-
Hylleraas, E.A.1
-
42
-
-
33746563448
-
-
10.1039/b517914a
-
Y. Shao, L. F. 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. J. DiStasio, 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. J. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. M. 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. 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. I. Woodcock, 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). 10.1039/b517914a
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.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, R.A.J.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.J.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.M.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.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
Woodcock, H.L.I.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
Schaefer III, H.F.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
44
-
-
84903367395
-
-
R. Peverati and D. G. Truhlar, arXiv:1212.0944 [chem-ph] (2012)
-
R. Peverati and D. G. Truhlar, arXiv:1212.0944 [chem-ph] (2012).
-
-
-
-
51
-
-
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
-
55
-
-
10844228090
-
-
10.1063/1.1809602
-
Y. Jung, R. C. Lochan, A. D. Dutoi, and M. Head-Gordon, J. Chem. Phys. 121, 9793 (2004). 10.1063/1.1809602
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 9793
-
-
Jung, Y.1
Lochan, R.C.2
Dutoi, A.D.3
Head-Gordon, M.4
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