-
1
-
-
28544448728
-
Single-reference ab initio methods for the calculation of excited states of large molecules
-
DOI 10.1021/cr0505627
-
A. Dreuw and M. Head-Gordon, Chem. Rev. 105, 4009 (2005). CHREAY 0009-2665 10.1021/cr0505627 (Pubitemid 41741652)
-
(2005)
Chemical Reviews
, vol.105
, Issue.11
, pp. 4009-4037
-
-
Dreuw, A.1
Head-Gordon, M.2
-
2
-
-
33751325382
-
-
CPCHFT 1439-4235 10.1002/cphc.200600064
-
A. Dreuw, Chem. Phys. Chem. 7, 2259 (2006). CPCHFT 1439-4235 10.1002/cphc.200600064
-
(2006)
Chem. Phys. Chem.
, vol.7
, pp. 2259
-
-
Dreuw, A.1
-
3
-
-
33745217233
-
-
Structure and Bonding, Vol. 112 (Springer, Berlin)
-
A. Rosa, G. Ricciardi, O. Gritsenko, and E. Baerends, Principles and Applications of Density Functional Theory in Inorganic Chemistry I, Structure and Bonding, Vol. 112 (Springer, Berlin, 2004), p. 49.
-
(2004)
Principles and Applications of Density Functional Theory in Inorganic Chemistry i
, pp. 49
-
-
Rosa, A.1
Ricciardi, G.2
Gritsenko, O.3
Baerends, E.4
-
4
-
-
84856394555
-
-
CPCHFT 1439-4235 10.1002/cphc.201100408
-
C. König and J. Neugebauer, Chem. Phys. Chem. 13, 386 (2012). CPCHFT 1439-4235 10.1002/cphc.201100408
-
(2012)
Chem. Phys. Chem.
, vol.13
, pp. 386
-
-
König, C.1
Neugebauer, J.2
-
5
-
-
84859895842
-
-
ARPLAP 0066-426X 10.1146/annurev-physchem-032511-143803
-
M. Casida and M. Huix-Rotllant, Annu. Rev. Phys. Chem. 63, 287 (2012). ARPLAP 0066-426X 10.1146/annurev-physchem-032511-143803
-
(2012)
Annu. Rev. Phys. Chem.
, vol.63
, pp. 287
-
-
Casida, M.1
Huix-Rotllant, M.2
-
6
-
-
0035891138
-
Photoelectrochemical cells
-
DOI 10.1038/35104607
-
M. Grätzel, Nature (London) 414, 338 (2001). NATUAS 0028-0836 10.1038/35104607 (Pubitemid 33097816)
-
(2001)
Nature
, vol.414
, Issue.6861
, pp. 338-344
-
-
Gratzel, M.1
-
7
-
-
34447504948
-
Efficient tandem polymer solar cells fabricated by all-solution processing
-
DOI 10.1126/science.1141711
-
J. Y. Kim, K. Lee, N. E. Coates, D. Moses, T.-Q. Nguyen, M. Dante, and A. J. Heeger, Science 317, 222 (2007). SCIEAS 0036-8075 10.1126/science.1141711 (Pubitemid 47076192)
-
(2007)
Science
, vol.317
, Issue.5835
, pp. 222-225
-
-
Jin, Y.K.1
Lee, K.2
Coates, N.E.3
Moses, D.4
Nguyen, T.-Q.5
Dante, M.6
Heeger, A.J.7
-
8
-
-
84994049229
-
-
2045-2322 10.1038/srep02446
-
J.-H. Yum, T. W. Holcombe, Y. Kim, K. Rakstys, T. Moehl, J. Teuscher, J. H. Delcamp, M. K. Nazeeruddin, and M. Grätzel, Sci. Rep. 3, 2446 (2013). 2045-2322 10.1038/srep02446
-
(2013)
Sci. Rep.
, vol.3
, pp. 2446
-
-
Yum, J.-H.1
Holcombe, T.W.2
Kim, Y.3
Rakstys, K.4
Moehl, T.5
Teuscher, J.6
Delcamp, J.H.7
Nazeeruddin, M.K.8
Grätzel, M.9
-
9
-
-
0003849462
-
-
Topics in Current Chemistry, Vol. 181 (Springer, Berlin)
-
E. Gross, J. Dobson, and M. Petersilka, Density-Functional Theory of Time-Dependent Phenomena, Topics in Current Chemistry, Vol. 181 (Springer, Berlin, 1996), p. 81.
-
(1996)
Density-Functional Theory of Time-Dependent Phenomena
, pp. 81
-
-
Gross, E.1
Dobson, J.2
Petersilka, M.3
-
10
-
-
33745778149
-
-
Lecture Notes in Physics, edited by, (Springer, Berlin)
-
Time-dependent Density Functional Theory, Lecture Notes in Physics, edited by M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross (Springer, Berlin, 2006).
-
(2006)
Time-dependent Density Functional Theory
-
-
Marques, M.A.L.1
Ullrich, C.A.2
Nogueira, F.3
Rubio, A.4
Burke, K.5
Gross, E.K.U.6
-
11
-
-
25644438484
-
First-principles GW-BSE excitations in organic molecules
-
DOI 10.1016/j.ssc.2005.08.012, PII S003810980500712X
-
M. L. Tiago and J. R. Chelikowsky, Solid State Commun. 136, 333 (2005). SSCOA4 0038-1098 10.1016/j.ssc.2005.08.012 (Pubitemid 41382572)
-
(2005)
Solid State Communications
, vol.136
, Issue.6
, pp. 333-337
-
-
Tiago, M.L.1
Chelikowsky, J.R.2
-
12
-
-
84861109392
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/23/233202
-
X. Andrade, J. Alberdi-Rodriguez, D. A. Strubbe, M. J. T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S. G. Louie, A. Aspuru-Guzik, A. Rubio, and M. A. L. Marques, J. Phys.: Condens. Matter 24, 233202 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/23/233202
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 233202
-
-
Andrade, X.1
Alberdi-Rodriguez, J.2
Strubbe, D.A.3
Oliveira, M.J.T.4
Nogueira, F.5
Castro, A.6
Muguerza, J.7
Arruabarrena, A.8
Louie, S.G.9
Aspuru-Guzik, A.10
Rubio, A.11
Marques, M.A.L.12
-
13
-
-
42449114107
-
Turbo charging time-dependent density-functional theory with Lanczos chains
-
DOI 10.1063/1.2899649
-
D. Rocca, R. Gebauer, Y. Saad, and S. Baroni, J. Chem. Phys. 128, 154105 (2008). JCPSA6 0021-9606 10.1063/1.2899649 (Pubitemid 351574608)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.15
, pp. 154105
-
-
Rocca, D.1
Gebauer, R.2
Saad, Y.3
Baroni, S.4
-
14
-
-
79957824375
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2011.04.020
-
O. B. Malcoǧlu, R. Gebauer, D. Rocca, and S. Baroni, Comput. Phys. Commun. 182, 1744 (2011). CPHCBZ 0010-4655 10.1016/j.cpc.2011.04.020
-
(2011)
Comput. Phys. Commun.
, vol.182
, pp. 1744
-
-
Malcoǧlu, O.B.1
Gebauer, R.2
Rocca, D.3
Baroni, S.4
-
15
-
-
84903362113
-
-
JCPSA6 0021-9606 10.1063/1.4817330
-
T. J. Zuehlsdorff, N. D. M. Hine, J. S. Spencer, N. M. Harrison, D. J. Riley, and P. D. Haynes, J. Chem. Phys. 139, 064104 (2013). JCPSA6 0021-9606 10.1063/1.4817330
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 064104
-
-
Zuehlsdorff, T.J.1
Hine, N.D.M.2
Spencer, J.S.3
Harrison, N.M.4
Riley, D.J.5
Haynes, P.D.6
-
16
-
-
50449089375
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.085125
-
F. Bruneval and X. Gonze, Phys. Rev. B 78, 085125 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.085125
-
(2008)
Phys. Rev. B
, vol.78
, pp. 085125
-
-
Bruneval, F.1
Gonze, X.2
-
17
-
-
77956689506
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.041103
-
J. A. Berger, L. Reining, and F. Sottile, Phys. Rev. B 82, 041103 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.041103
-
(2010)
Phys. Rev. B
, vol.82
, pp. 041103
-
-
Berger, J.A.1
Reining, L.2
Sottile, F.3
-
18
-
-
67649946014
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.245106
-
H. F. Wilson, D. Lu, F. Gygi, and G. Galli, Phys. Rev. B 79, 245106 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.245106
-
(2009)
Phys. Rev. B
, vol.79
, pp. 245106
-
-
Wilson, H.F.1
Lu, D.2
Gygi, F.3
Galli, G.4
-
19
-
-
78149391910
-
-
JCPSA6 0021-9606 10.1063/1.3494540
-
D. Rocca, D. Lu, and G. Galli, J. Chem. Phys. 133, 164109 (2010). JCPSA6 0021-9606 10.1063/1.3494540
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 164109
-
-
Rocca, D.1
Lu, D.2
Galli, G.3
-
20
-
-
77954984623
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115105
-
F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 81, 115105 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.115105
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115105
-
-
Giustino, F.1
Cohen, M.L.2
Louie, S.G.3
-
21
-
-
77954992522
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115104
-
P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B 81, 115104 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.115104
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115104
-
-
Umari, P.1
Stenuit, G.2
Baroni, S.3
-
22
-
-
84863306507
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.245125
-
H. Hübener, M. A. Pérez-Osorio, P. Ordejón, and F. Giustino, Phys. Rev. B 85, 245125 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85. 245125
-
(2012)
Phys. Rev. B
, vol.85
, pp. 245125
-
-
Hübener, H.1
Pérez-Osorio, M.A.2
Ordejón, P.3
Giustino, F.4
-
23
-
-
84879011827
-
-
EPJBFY 1434-6028 10.1140/epjb/e2012-30106-3
-
H. Hübener, M. Pérez-Osorio, P. Ordejón, and F. Giustino, Eur. Phys. J. B 85, 321 (2012). EPJBFY 1434-6028 10.1140/epjb/e2012- 30106-3
-
(2012)
Eur. Phys. J. B
, vol.85
, pp. 321
-
-
Hübener, H.1
Pérez-Osorio, M.2
Ordejón, P.3
Giustino, F.4
-
24
-
-
84883373179
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.88.075117
-
H. Lambert and F. Giustino, Phys. Rev. B 88, 075117 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.075117
-
(2013)
Phys. Rev. B
, vol.88
, pp. 075117
-
-
Lambert, H.1
Giustino, F.2
-
25
-
-
0000334782
-
-
R4301. PRBMDO 0163-1829 10.1103/PhysRevB.56.R4301
-
L. Reining, G. Onida, and R. W. Godby, Phys. Rev. B 56, R4301 (1997). PRBMDO 0163-1829 10.1103/PhysRevB.56.R4301
-
(1997)
Phys. Rev. B
, vol.56
-
-
Reining, L.1
Onida, G.2
Godby, R.W.3
-
26
-
-
34248348289
-
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
-
DOI 10.1063/1.2733666
-
X. Andrade, S. Botti, M. A. L. Marques, and A. Rubio, J. Chem. Phys. 126, 184106 (2007). JCPSA6 0021-9606 10.1063/1.2733666 (Pubitemid 46743606)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.18
, pp. 184106
-
-
Andrade, X.1
Botti, S.2
Marques, M.A.L.3
Rubio, A.4
-
27
-
-
1842531892
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.69.085111
-
X. Blase and P. Ordejón, Phys. Rev. B 69, 085111 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.69.085111
-
(2004)
Phys. Rev. B
, vol.69
, pp. 085111
-
-
Blase, X.1
Ordejón, P.2
-
28
-
-
79961046698
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115123
-
C. Faber, C. Attaccalite, V. Olevano, E. Runge, and X. Blase, Phys. Rev. B 83, 115123 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.115123
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115123
-
-
Faber, C.1
Attaccalite, C.2
Olevano, V.3
Runge, E.4
Blase, X.5
-
29
-
-
79961082947
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115103
-
X. Blase, C. Attaccalite, and V. Olevano, Phys. Rev. B 83, 115103 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.115103
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115103
-
-
Blase, X.1
Attaccalite, C.2
Olevano, V.3
-
31
-
-
56149091079
-
-
NALEFD 1530-6984 10.1021/nl801644d
-
S. Meng, J. Ren, and E. Kaxiras, Nano Lett. 8, 3266 (2008). NALEFD 1530-6984 10.1021/nl801644d
-
(2008)
Nano Lett.
, vol.8
, pp. 3266
-
-
Meng, S.1
Ren, J.2
Kaxiras, E.3
-
32
-
-
70449337742
-
-
JPCAFH 1089-5639 10.1021/jp903966n
-
E. Jakubikova, R. C. Snoeberger III, V. S. Batista, R. L. Martin, and E. R. Batista, J. Phys. Chem. A 113, 12532 (2009). JPCAFH 1089-5639 10.1021/jp903966n
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12532
-
-
Jakubikova, E.1
Snoeberger III, R.C.2
Batista, V.S.3
Martin, R.L.4
Batista, E.R.5
-
35
-
-
84864231251
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.075441
-
S. García-Gil, A. García, N. Lorente, and P. Ordejón, Phys. Rev. B 79, 075441 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.075441
-
(2009)
Phys. Rev. B
, vol.79
, pp. 075441
-
-
García-Gil, S.1
García, A.2
Lorente, N.3
Ordejón, P.4
-
38
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
DOI 10.1088/0953-8984/14/11/302, PII S0953898402307379
-
J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.11
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
39
-
-
0003759441
-
-
in, edited by (World Scientific, Singapore) p. 155
-
M. Casida, in Recent Advances in Density Functional Methods, Part I, edited by D. Chong (World Scientific, Singapore, 1995) p. 155.
-
(1995)
Recent Advances in Density Functional Methods, Part i
-
-
Casida, M.1
Chong, D.2
-
40
-
-
0036057017
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002). RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
41
-
-
33947704666
-
-
RPPHAG 0034-4885 10.1088/0034-4885/70/3/R02
-
S. Botti, A. Schindlmayr, R. D. Sole, and L. Reining, Rep. Prog. Phys. 70, 357 (2007). RPPHAG 0034-4885 10.1088/0034-4885/70/3/R02
-
(2007)
Rep. Prog. Phys.
, vol.70
, pp. 357
-
-
Botti, S.1
Schindlmayr, A.2
Sole, R.D.3
Reining, L.4
-
43
-
-
6944248287
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.204
-
A. Zangwill and P. Soven, Phys. Rev. Lett. 45, 204 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.204
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 204
-
-
Zangwill, A.1
Soven, P.2
-
44
-
-
36149014733
-
-
PHRVAO 0031-899X 10.1103/PhysRev.84.244
-
R. Sternheimer, Phys. Rev. 84, 244 (1951). PHRVAO 0031-899X 10.1103/PhysRev.84.244
-
(1951)
Phys. Rev.
, vol.84
, pp. 244
-
-
Sternheimer, R.1
-
45
-
-
0035535380
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.73.515
-
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.515
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 515
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
47
-
-
0033197383
-
-
PSSBBD 0370-1972 10.1002/(SICI)1521-3951(199909)215:1<809::AID- PSSB809>3.0.CO;2-0
-
E. Artacho, D. Sánchez-Portal, P. Ordejón, A. García, and J. M. Soler, Phys. Status Solidi B 215, 809 (1999). PSSBBD 0370-1972 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0
-
(1999)
Phys. Status Solidi B
, vol.215
, pp. 809
-
-
Artacho, E.1
Sánchez-Portal, D.2
Ordejón, P.3
García, A.4
Soler, J.M.5
-
48
-
-
0035894201
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.235111
-
J. Junquera, O. Paz, D. Sánchez-Portal, and E. Artacho, Phys. Rev. B 64, 235111 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.235111
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235111
-
-
Junquera, J.1
Paz, O.2
Sánchez-Portal, D.3
Artacho, E.4
-
50
-
-
79960228443
-
-
JCPSA6 0021-9606 10.1063/1.3606467
-
L. Lehtovaara and M. A. L. Marques, J. Chem. Phys. 135, 014103 (2011). JCPSA6 0021-9606 10.1063/1.3606467
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 014103
-
-
Lehtovaara, L.1
Marques, M.A.L.2
-
53
-
-
84863663092
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/29/293201
-
C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, and A. Schindlmayr, J. Phys.: Condens. Matter 24, 293201 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/29/293201
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 293201
-
-
Friedrich, C.1
Betzinger, M.2
Schlipf, M.3
Blügel, S.4
Schindlmayr, A.5
-
54
-
-
84872973847
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.024505
-
E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.024505
-
(2013)
Phys. Rev. B
, vol.87
, pp. 024505
-
-
Margine, E.R.1
Giustino, F.2
-
56
-
-
33744691386
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
57
-
-
26144450583
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
58
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
59
-
-
84897697600
-
-
http://giustino.materials.ox.ac.uk/files/art/2013/Huebener/ structures.tar.
-
-
-
-
60
-
-
84897679695
-
-
http://www.rcsb.org/pdb/ligand/ligandsummary.do? hetId=CLA.
-
-
-
-
61
-
-
0000675609
-
-
CHPLBC 0009-2614 10.1016/0009-2614(72)90011-5
-
E. E. Koch and A. Otto, Chem. Phys. Lett. 12, 476 (1972). CHPLBC 0009-2614 10.1016/0009-2614(72)90011-5
-
(1972)
Chem. Phys. Lett.
, vol.12
, pp. 476
-
-
Koch, E.E.1
Otto, A.2
-
62
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter. 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter.
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Dal Corso, A.11
De Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
-
63
-
-
0042813364
-
-
JMOSA3 0022-2852 10.1016/0022-2852(61)90236-3
-
M. Gouterman, J. Mol. Spectrosc. 6, 138 (1961). JMOSA3 0022-2852 10.1016/0022-2852(61)90236-3
-
(1961)
J. Mol. Spectrosc.
, vol.6
, pp. 138
-
-
Gouterman, M.1
-
67
-
-
0010104094
-
-
10.1111/j.1751-1097.1998.tb02480.x
-
H. Du, R. C. A. Fuh, J. Li, L. A. Corkan, and J. S. Lindsey, Photochem. Photobiol. 68, 141 (1998). 10.1111/j.1751-1097.1998.tb02480.x
-
(1998)
Photochem. Photobiol.
, vol.68
, pp. 141
-
-
Du, H.1
Fuh, R.C.A.2
Li, J.3
Corkan, L.A.4
Lindsey, J.S.5
-
68
-
-
0029878720
-
VMD: Visual molecular dynamics
-
DOI 10.1016/0263-7855(96)00018-5
-
W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics Modell. 14, 33 (1996). JMGRDV 0263-7855 10.1016/0263-7855(96)00018-5 (Pubitemid 26152973)
-
(1996)
Journal of Molecular Graphics
, vol.14
, Issue.1
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
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