-
1
-
-
10644250257
-
-
10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
5
-
-
0001157659
-
-
edited by D. P. Chong (World Scientific, Singapore)
-
M. E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by D. P. Chong (World Scientific, Singapore, 1995), p. 155.
-
(1995)
Recent Advances in Density Functional Methods, Part i
, pp. 155
-
-
Casida, M.E.1
-
6
-
-
0001456831
-
-
10.1103/PhysRevB.54.4484
-
K. Yabana and G. F. Bertsch, Phys. Rev. B 54, 4484 (1996). 10.1103/PhysRevB.54.4484
-
(1996)
Phys. Rev. B
, vol.54
, pp. 4484
-
-
Yabana, K.1
Bertsch, G.F.2
-
8
-
-
0043269811
-
-
10.1103/PhysRevLett.90.258101
-
M. A. L. Marques, X. López, D. Varsano, A. Castro, and A. Rubio, Phys. Rev. Lett. 90, 258101 (2003). 10.1103/PhysRevLett.90.258101
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 258101
-
-
Marques, M.A.L.1
López, X.2
Varsano, D.3
Castro, A.4
Rubio, A.5
-
12
-
-
0037163556
-
-
10.1016/S0009-2614(02)01214-9
-
R. Baer, Chem. Phys. Lett. 364, 75 (2002). 10.1016/S0009-2614(02)01214-9
-
(2002)
Chem. Phys. Lett.
, vol.364
, pp. 75
-
-
Baer, R.1
-
18
-
-
75749152064
-
-
10.1063/1.3292571
-
R. Send and F. Furche, J. Chem. Phys. 132, 044107 (2010). 10.1063/1.3292571
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 044107
-
-
Send, R.1
Furche, F.2
-
19
-
-
78650995946
-
-
10.1103/PhysRevA.82.062508
-
C. Hu, O. Sugino, H. Hirai, and Y. Tateyama, Phys. Rev. A 82, 062508 (2010). 10.1103/PhysRevA.82.062508
-
(2010)
Phys. Rev. A
, vol.82
, pp. 062508
-
-
Hu, C.1
Sugino, O.2
Hirai, H.3
Tateyama, Y.4
-
20
-
-
84872973174
-
-
10.1103/PhysRevB.87.035421
-
C. Hu, T. Tsukagoshi, O. Sugino, and K. Watanabe, Phys. Rev. B 87, 035421 (2013). 10.1103/PhysRevB.87.035421
-
(2013)
Phys. Rev. B
, vol.87
, pp. 035421
-
-
Hu, C.1
Tsukagoshi, T.2
Sugino, O.3
Watanabe, K.4
-
23
-
-
33645774356
-
-
10.1080/00268970500417762
-
B. G. Levine, C. Ko, J. Quenneville, and T. J. Martinez, Mol. Phys. 104, 1039 (2006). 10.1080/00268970500417762
-
(2006)
Mol. Phys.
, vol.104
, pp. 1039
-
-
Levine, B.G.1
Ko, C.2
Quenneville, J.3
Martinez, T.J.4
-
25
-
-
77957891684
-
-
10.1039/c0cp00273a
-
M. Huix-Rotllant, B. Natarajan, A. Ipatov, C. Muhavini Wawire, T. Deutsch, and M. E. Casida, Phys. Chem. Chem. Phys. 12, 12811 (2010). 10.1039/c0cp00273a
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 12811
-
-
Huix-Rotllant, M.1
Natarajan, B.2
Ipatov, A.3
Muhavini Wawire, C.4
Deutsch, T.5
Casida, M.E.6
-
26
-
-
0037338058
-
-
10.1063/1.1540109
-
J. Hutter, J. Chem. Phys. 118, 3928 (2003). 10.1063/1.1540109
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3928
-
-
Hutter, J.1
-
27
-
-
84879986854
-
-
10.1063/1.4811331
-
S. Grimme, J. Chem. Phys. 138, 244104 (2013). 10.1063/1.4811331
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 244104
-
-
Grimme, S.1
-
28
-
-
0034319444
-
-
10.1063/1.1313558
-
M. E. Casida, F. Gutierrez, J. Guan, F.-X. Gadea, D. Salahub, and J.-P. Daudey, J. Chem. Phys. 113, 7062 (2000). 10.1063/1.1313558
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7062
-
-
Casida, M.E.1
Gutierrez, F.2
Guan, J.3
Gadea, F.-X.4
Salahub, D.5
Daudey, J.-P.6
-
29
-
-
36048994257
-
-
10.1063/1.2786997
-
F. Cordova, L. J. Doriol, A. Ipatov, M. E. Casida, C. Filippi, and A. Vela, J. Chem. Phys. 127, 164111 (2007). 10.1063/1.2786997
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164111
-
-
Cordova, F.1
Doriol, L.J.2
Ipatov, A.3
Casida, M.E.4
Filippi, C.5
Vela, A.6
-
30
-
-
33745778149
-
-
edited by M. Marques, C. Ulrich, F. Nogueira, A. Rubio, and E. Gross (Springer, Berlin)
-
M. E. Casida, A. Ipatov, and F. Cordova, in Time-Dependent Density Functional Theory, edited by M. Marques, C. Ulrich, F. Nogueira, A. Rubio, and E. Gross (Springer, Berlin, 2006).
-
(2006)
Time-Dependent Density Functional Theory
-
-
Casida, M.E.1
Ipatov, A.2
Cordova, F.3
-
35
-
-
0035826453
-
-
10.1063/1.1353585
-
F. Furche, J. Chem. Phys. 114, 5982 (2001). 10.1063/1.1353585
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5982
-
-
Furche, F.1
-
41
-
-
60649102619
-
-
10.1016/j.ccr.2008.05.014
-
F. Neese, Coord. Chem. Rev. 253, 526 (2009). 10.1016/j.ccr.2008.05.014
-
(2009)
Coord. Chem. Rev.
, vol.253
, pp. 526
-
-
Neese, F.1
-
42
-
-
84887385855
-
-
10.1063/1.4801511
-
E. Abad, J. P. Lewis, V. Zobač, P. Hapala, P. Jelinek, and J. Ortega, J. Chem. Phys. 138, 154106 (2013). 10.1063/1.4801511
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 154106
-
-
Abad, E.1
Lewis, J.P.2
Zobač, V.3
Hapala, P.4
Jelinek, P.5
Ortega, J.6
-
43
-
-
0036827661
-
-
The ABINIT code is a common project of the Université Catholique de Louvain, Corning Incorporated, the Université de Liège, Mitsubishi Chemical Cor, and other contributors (URL). 10.1016/S0927-0256(02) 00325-7
-
X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002). The ABINIT code is a common project of the Université Catholique de Louvain, Corning Incorporated, the Université de Liège, Mitsubishi Chemical Corp., and other contributors (URL http://www.abinit.org). 10.1016/S0927-0256(02)00325-7
-
(2002)
Comput. Mater. Sci.
, vol.25
, pp. 478
-
-
Gonze, X.1
Beuken, J.-M.2
Caracas, R.3
Detraux, F.4
Fuchs, M.5
Rignanese, G.-M.6
Sindic, L.7
Verstraete, M.8
Zerah, G.9
Jollet, F.10
Torrent, M.11
Roy, A.12
Mikami, M.13
Ghosez, Ph.14
Raty, J.-Y.15
Allan, D.C.16
-
47
-
-
84872912846
-
-
10.1002/qua.24130
-
C. Hu, R. Komakura, Z. Li, and K. Watanabe, Int. J. Quantum Chem. 113, 263 (2013). 10.1002/qua.24130
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 263
-
-
Hu, C.1
Komakura, R.2
Li, Z.3
Watanabe, K.4
-
48
-
-
33644596413
-
-
10.1063/1.2178789
-
G. J. Halász, Á. Vibók, R. Baer, and M. Baer, J. Chem. Phys. 124, 081106 (2006). 10.1063/1.2178789
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 081106
-
-
Halász, G.J.1
Vibók, A.2
Baer, R.3
Baer, M.4
-
49
-
-
0000780838
-
-
10.1021/j100248a006
-
M. Desouter-Lecomte, D. Dehareng, B. Leyh-Nihant, M. Th. Praet, A. J. Lorquet, and J. C. Lorquet, J. Phys. Chem. 89, 214 (1985). 10.1021/j100248a006
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 214
-
-
Desouter-Lecomte, M.1
Dehareng, D.2
Leyh-Nihant, B.3
Praet, M.Th.4
Lorquet, A.J.5
Lorquet, J.C.6
-
50
-
-
68849117864
-
-
10.1080/00268970902973842
-
A. Mitrushchenkov, R. Linguerri, P. Rosmus, and J. P. Maier, Mol. Phys. 107, 1549 (2009). 10.1080/00268970902973842
-
(2009)
Mol. Phys.
, vol.107
, pp. 1549
-
-
Mitrushchenkov, A.1
Linguerri, R.2
Rosmus, P.3
Maier, J.P.4
-
51
-
-
62349094163
-
-
10.1016/j.theochem.2008.12.035
-
S. Wang, J. Li, X. Guo, L. Jiang, and J. Zhang, J. Mol. Struct.: THEOCHEM 900, 118 (2009). 10.1016/j.theochem.2008.12.035
-
(2009)
J. Mol. Struct.: THEOCHEM
, vol.900
, pp. 118
-
-
Wang, S.1
Li, J.2
Guo, X.3
Jiang, L.4
Zhang, J.5
-
53
-
-
0037166096
-
-
10.1016/S0009-2614(02)00623-1
-
G. Halász, Á. Vibók, A. M. Mebel, and M. Baer, Chem. Phys. Lett. 358, 163 (2002). 10.1016/S0009-2614(02)00623-1
-
(2002)
Chem. Phys. Lett.
, vol.358
, pp. 163
-
-
Halász, G.1
Vibók, A.2
Mebel, A.M.3
Baer, M.4
-
54
-
-
0030495574
-
-
10.1103/RevModPhys.68.985
-
D. R. Yarkony, Rev. Mod. Phys. 68, 985 (1996). 10.1103/RevModPhys.68.985
-
(1996)
Rev. Mod. Phys.
, vol.68
, pp. 985
-
-
Yarkony, D.R.1
-
55
-
-
0142084728
-
-
10.1063/1.1601592
-
Á. Vibók, G. J. Halász, T. Vèrtei, S. Suhai, M. Baer, and J. P. Toennies, J. Chem. Phys. 119, 6588 (2003). 10.1063/1.1601592
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 6588
-
-
Vibók, A.1
Halász, G.J.2
Vèrtei, T.3
Suhai, S.4
Baer, M.5
Toennies, J.P.6
-
56
-
-
36549098097
-
-
10.1063/1.450250
-
D. R. Yarkony, J. Chem. Phys. 84, 3206 (1986). 10.1063/1.450250
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 3206
-
-
Yarkony, D.R.1
|