-
5
-
-
33751157732
-
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
8
-
-
4243943295
-
-
0031-9007 10.1103/PhysRevLett.77.3865
-
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (E) (1997).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
9
-
-
4944232881
-
-
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (E) (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
12
-
-
34547139150
-
-
J. Paier, M. Marsman, G. Kresse, I. C. Gerber, and J. G. ngyán, J. Chem. Phys. 124, 154709 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Kresse, G.3
Gerber, I.C.4
Ngyán, J.G.5
-
16
-
-
2542450086
-
-
Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8425
-
-
Tawada, Y.1
Tsuneda, T.2
Yanagisawa, S.3
Yanai, T.4
Hirao, K.5
-
17
-
-
0035934184
-
-
H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. 115, 3540 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 3540
-
-
Iikura, H.1
Tsuneda, T.2
Yanai, T.3
Hirao, K.4
-
19
-
-
0037799714
-
-
0021-9606 10.1063/1.1564060
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 0021-9606 10.1063/1.1564060 118, 8207 (2003); J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906(E) (2006).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
20
-
-
34547139312
-
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 0021-9606 10.1063/1.1564060 118, 8207 (2003); J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906(E) (2006).
-
(2006)
J. Chem. Phys.
, vol.124
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
25
-
-
34247355539
-
-
J.-W. Song, T. Hirosawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 126, 154105 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154105
-
-
Song, J.-W.1
Hirosawa, T.2
Tsuneda, T.3
Hirao, K.4
-
26
-
-
34547672934
-
-
I. C. Gerber, J. G. ngyán, M. Marsman, and G. Kresse, J. Chem. Phys. 127, 054101 (2007).
-
(2007)
J. Chem. Phys.
, pp. 054101
-
-
Gerber, I.C.1
Ngyán, J.G.2
Marsman, M.3
Kresse, G.4
-
27
-
-
23344450290
-
-
M. Kamiya, H. Sekino, T. Tsuneda, and K. Hirao, J. Chem. Phys. 122, 234111 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 234111
-
-
Kamiya, M.1
Sekino, H.2
Tsuneda, T.3
Hirao, K.4
-
30
-
-
27144445378
-
-
J. G. ngyán, I. C. Gerber, A. Savin, and J. Toulouse, Phys. Rev. A 72, 012510 (2005).
-
(2005)
Phys. Rev. A
, vol.72
, pp. 012510
-
-
Ngyán, J.G.1
Gerber, I.C.2
Savin, A.3
Toulouse, J.4
-
32
-
-
0031590109
-
-
T. Leininger, H. Stoll, H.-J. Werner, and A. Savin, Chem. Phys. Lett. 275, 151 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.275
, pp. 151
-
-
Leininger, T.1
Stoll, H.2
Werner, H.-J.3
Savin, A.4
-
37
-
-
0001388602
-
-
A. Seidl, A. Görling, P. Vogl, J. A. Majewski, and M. Levy, Phys. Rev. B 53, 3764 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 3764
-
-
Seidl, A.1
Görling, A.2
Vogl, P.3
Majewski, J.A.4
Levy, M.5
-
39
-
-
37149019283
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian Development Version, Revision F.01, Gaussian, Inc., Wallingford, CT, 2006.
-
(2006)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
41
-
-
0001213712
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 112, 7374 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 7374
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
42
-
-
0035147937
-
-
L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 114, 108 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 108
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
46
-
-
25344450852
-
-
S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A 47, 3649 (1993).
-
(1993)
Phys. Rev. A
, vol.47
, pp. 3649
-
-
Chakravorty, S.J.1
Gwaltney, S.R.2
Davidson, E.R.3
Parpia, F.A.4
Fischer, C.F.5
-
47
-
-
36549094943
-
-
J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
48
-
-
0000664876
-
-
L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 93, 2537 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
|