-
1
-
-
33644611684
-
-
in, edited by C. E. Dykstra, G. Frenking, K. S. Kim, and G. E. Scuseria (Elsevier, Amsterdam).
-
G. E. Scuseria and V. N. Staroverov, in Theory and Applications of Computational Chemistry: The First 40 Years, edited by, C. E. Dykstra, G. Frenking, K. S. Kim, and, G. E. Scuseria, (Elsevier, Amsterdam, 2005).
-
(2005)
Theory and Applications of Computational Chemistry: The First 40 Years
-
-
Scuseria, G.E.1
Staroverov, V.N.2
-
2
-
-
0003838470
-
-
in, edited by V. Van Doren, C. Van Alsenoy, and P. Geerlings (American Institute of Physics, Melville, NY).
-
J. P. Perdew and K. Schmidt, in Density Functional Theory and its Application to Materials, edited by, V. Van Doren, C. Van Alsenoy, and, P. Geerlings, (American Institute of Physics, Melville, NY, 2001).
-
(2001)
Density Functional Theory and Its Application to Materials
-
-
Perdew, J.P.1
Schmidt, K.2
-
6
-
-
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
-
16
-
-
33846071565
-
-
H. Bahmann, A. Rodenberg, A. V. Arbuznikov, and M. Kaupp, J. Chem. Phys. 126, 011103 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 011103
-
-
Bahmann, H.1
Rodenberg, A.2
Arbuznikov, A.V.3
Kaupp, M.4
-
22
-
-
38549130779
-
-
J. Tao, V. N. Staroverov, G. E. Scuseria, and J. P. Perdew, Phys. Rev. A 77, 012509 (2008).
-
(2008)
Phys. Rev. A
, vol.77
, pp. 012509
-
-
Tao, J.1
Staroverov, V.N.2
Scuseria, G.E.3
Perdew, J.P.4
-
25
-
-
0001388786
-
-
in, edited by J. M. Seminario (Elseveir, Amsterdam)
-
A. Savin, in Recent Developments and Applications of Modern Density Functional Theory, edited by, J. M. Seminario, (Elseveir, Amsterdam, 1996), pp. 327-357.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
, pp. 327-357
-
-
Savin, A.1
-
27
-
-
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
-
29
-
-
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
-
30
-
-
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
-
31
-
-
0037799714
-
-
0021-9606 10.1063/1.1564060, ();, J. Chem. Phys. 124, 219906 (2006).
-
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 (2006).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
Heyd, J.4
Scuseria, G.E.5
Ernzerhof, M.6
-
36
-
-
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
-
37
-
-
27644519159
-
-
J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, J. Chem. Phys. 123, 174101 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 174101
-
-
Heyd, J.1
Peralta, J.E.2
Scuseria, G.E.3
Martin, R.L.4
-
39
-
-
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
-
41
-
-
33747615729
-
-
O. A. Vydrov, J. Heyd, A. V. Krukau, and G. E. Scuseria, J. Chem. Phys. 125, 074106 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 074106
-
-
Vydrov, O.A.1
Heyd, J.2
Krukau, A.V.3
Scuseria, G.E.4
-
42
-
-
33845518500
-
-
A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. 125, 224106 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
45
-
-
37149001842
-
-
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria, and A. Savin, J. Chem. Phys. 127, 221103 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 221103
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scuseria, G.E.3
Savin, A.4
-
50
-
-
52949139924
-
-
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria, and A. Savin, J. Chem. Theory Comput. 4, 1254 (2008).
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1254
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scuseria, G.E.3
Savin, A.4
-
51
-
-
42749107647
-
-
L. Zecca, P. Gori-Giorgi, S. Moroni, and G. B. Bachelet, Phys. Rev. B 70, 205127 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 205127
-
-
Zecca, L.1
Gori-Giorgi, P.2
Moroni, S.3
Bachelet, G.B.4
-
54
-
-
4243943295
-
-
0031-9007 10.1103/PhysRevLett.77.3865, ();, Phys. Rev. Lett. 78, 1396 (1997).
-
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 (1997).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
Perdew, J.P.4
Burke, K.5
Ernzerhof, M.6
-
68
-
-
33847676742
-
-
A. F. Izmaylov, V. N. Staroverov, G. E. Scuseria, E. R. Davidson, G. Stoltz, and E. Canc̀s, J. Chem. Phys. 126, 084107 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 084107
-
-
Izmaylov, A.F.1
Staroverov, V.N.2
Scuseria, G.E.3
Davidson, E.R.4
Stoltz, G.5
Canc̀s, E.6
-
69
-
-
34548462635
-
-
A. F. Izmaylov, V. N. Staroverov, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys. 127, 084113 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 084113
-
-
Izmaylov, A.F.1
Staroverov, V.N.2
Scuseria, G.E.3
Davidson, E.R.4
-
70
-
-
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
-
74
-
-
0001210511
-
-
K. Kobayashi, N. Kurita, H. Kumahora, and K. Tago, Phys. Rev. A 43, 5810 (1993).
-
(1993)
Phys. Rev. A
, vol.43
, pp. 5810
-
-
Kobayashi, K.1
Kurita, N.2
Kumahora, H.3
Tago, K.4
-
75
-
-
52949115024
-
-
GAUSSIAN, Development Version, Revision G.01, Gaussian, Inc., Wallingford, CT.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN, Development Version, Revision G.01, Gaussian, Inc., Wallingford, CT, 2007.
-
(2007)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
79
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
81
-
-
0242573642
-
-
1089-5639 10.1021/jp035287b, ();, J. Phys. Chem. A 108, 1460 (2004).
-
B. J. Lynch and D. G. Truhlar, J. Phys. Chem. A 1089-5639 10.1021/jp035287b 107, 8996 (2003); B. J. Lynch and D. G. Truhlar, J. Phys. Chem. A 108, 1460 (2004).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 8996
-
-
Lynch, B.J.1
Truhlar, D.G.2
Lynch, B.J.3
Truhlar, D.G.4
-
82
-
-
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
-
83
-
-
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
-
84
-
-
22244474611
-
-
L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 110, 42 (1998).
-
(1998)
J. Chem. Phys.
, vol.110
, pp. 42
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
85
-
-
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
-
87
-
-
15544366274
-
-
1089-5639 10.1021/jp045141s, ();, J. Phys. Chem. A 109, 4942 (2006).
-
Y. Zhao, N. Gonzales-García, and D. G. Truhlar, J. Phys. Chem. A 1089-5639 10.1021/jp045141s 109, 2012 (2005); Y. Zhao, N. Gonzales- García, and D. G. Truhlar, J. Phys. Chem. A 109, 4942 (2006).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 2012
-
-
Zhao, Y.1
Gonzales-García, N.2
Truhlar, D.G.3
Zhao, Y.4
Gonzales-García, N.5
Truhlar, D.G.6
-
88
-
-
0347319419
-
-
0021-9606 10.1063/1.1626543, ();, J. Chem. Phys. 121, 11507 (2004).
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. 0021-9606 10.1063/1.1626543 119, 12129 (2003); V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. 121, 11507 (2004).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
Staroverov, V.N.5
Scuseria, G.E.6
Tao, J.7
Perdew, J.P.8
-
89
-
-
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
-
93
-
-
52949130355
-
-
Computational Chemistry Comparison and Benchmark DataBase (CCCBDB).
-
Computational Chemistry Comparison and Benchmark DataBase (CCCBDB) (http://cccbdb.nist.gov/).
-
-
-
|