-
2
-
-
0036057017
-
-
RMPHAT 0034-6861, 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 74, 601 (2002). 10.1103/RevModPhys.74.601
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
3
-
-
28844470918
-
Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizers
-
DOI 10.1021/ja052467l
-
M. K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, B. Takeru, and M. Grätzel, J. Am. Chem. Soc. JACSAT 0002-7863 127, 16835 (2005). 10.1021/ja052467l (Pubitemid 41772844)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.48
, pp. 16835-16847
-
-
Nazeeruddin, M.K.1
De Angelis, F.2
Fantacci, S.3
Selloni, A.4
Viscardi, G.5
Liska, P.6
Ito, S.7
Takeru, B.8
Gratzel, M.9
-
4
-
-
34548497849
-
Growth of vertically aligned Si wire arrays over large areas (>1 cm2) with Au and Cu catalysts
-
DOI 10.1063/1.2779236
-
B. M. Kayes, M. A. Filler, M. C. Putnam, M. D. Kelzenberg, N. S. Lewis, and H. A. Atwater, Appl. Phys. Lett. APPLAB 0003-6951 91, 103110 (2007). 10.1063/1.2779236 (Pubitemid 47379063)
-
(2007)
Applied Physics Letters
, vol.91
, Issue.10
, pp. 103110
-
-
Kayes, B.M.1
Filler, M.A.2
Putnam, M.C.3
Kelzenberg, M.D.4
Lewis, N.S.5
Atwater, H.A.6
-
6
-
-
0012597289
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.52.997
-
E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 52, 997 (1984). 10.1103/PhysRevLett.52.997
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 997
-
-
Runge, E.1
Gross, E.K.U.2
-
7
-
-
4243810484
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.62.4927
-
M. Rohlfing and S. G. Louie, Phys. Rev. B PLRBAQ 0556-2805 62, 4927 (2000). 10.1103/PhysRevB.62.4927
-
(2000)
Phys. Rev. B
, vol.62
, pp. 4927
-
-
Rohlfing, M.1
Louie, S.G.2
-
8
-
-
0042113153
-
-
PHRVAO 0031-899X, 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
9
-
-
36149016819
-
-
PHRVAO 0031-899X, 10.1103/PhysRev.139.A796
-
L. Hedin, Phys. Rev. PHRVAO 0031-899X 139, A796 (1965). 10.1103/PhysRev.139.A796
-
(1965)
Phys. Rev.
, vol.139
, pp. 796
-
-
Hedin, L.1
-
10
-
-
18044388359
-
Optical absorption of water: Coulomb effects versus hydrogen bonding
-
DOI 10.1103/PhysRevLett.94.037404, 037404
-
P. H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc, Phys. Rev. Lett. PRLTAO 0031-9007 94, 037404 (2005). 10.1103/PhysRevLett.94.037404 (Pubitemid 40607331)
-
(2005)
Physical Review Letters
, vol.94
, Issue.3
, pp. 1-4
-
-
Hahn, P.H.1
Schmidt, W.G.2
Seino, K.3
Preuss, M.4
Bechstedt, F.5
Bernholc, J.6
-
11
-
-
33749353769
-
Ab initio calculation of optical spectra of liquids: Many-body effects in the electronic excitations of water
-
DOI 10.1103/PhysRevLett.97.137402
-
V. Garbuio, M. Cascella, L. Reining, R. Del Sole, and O. Pulci, Phys. Rev. Lett. PRLTAO 0031-9007 97, 137402 (2006). 10.1103/PhysRevLett.97.137402 (Pubitemid 44496547)
-
(2006)
Physical Review Letters
, vol.97
, Issue.13
, pp. 137402
-
-
Garbuio, V.1
Cascella, M.2
Reining, L.3
Del Sole, R.4
Pulci, O.5
-
12
-
-
70350521607
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.103.186802
-
L. Yang, J. Deslippe, C. -H. Park, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 103, 186802 (2009). 10.1103/PhysRevLett.103.186802
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 186802
-
-
Yang, L.1
Deslippe, J.2
Park, C.-H.3
Cohen, M.L.4
Louie, S.G.5
-
13
-
-
1642585814
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.92.077402
-
C. D. Spataru, S. Ismail-Beigi, L. X. Benedict, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 92, 077402 (2004). 10.1103/PhysRevLett.92.077402
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 077402
-
-
Spataru, C.D.1
Ismail-Beigi, S.2
Benedict, L.X.3
Louie, S.G.4
-
14
-
-
33645507578
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.96.126104
-
L. Wirtz, A. Marini, and A. Rubio, Phys. Rev. Lett. PRLTAO 0031-9007 96, 126104 (2006). 10.1103/PhysRevLett.96.126104
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 126104
-
-
Wirtz, L.1
Marini, A.2
Rubio, A.3
-
15
-
-
0000101589
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.75.818
-
G. Onida, L. Reining, R. W. Godby, R. del Sole, and W. Andreoni, Phys. Rev. Lett. PRLTAO 0031-9007 75, 818 (1995). 10.1103/PhysRevLett.75.818
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 818
-
-
Onida, G.1
Reining, L.2
Godby, R.W.3
Del Sole, R.4
Andreoni, W.5
-
16
-
-
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. SSCOA4 0038-1098 136, 333 (2005). 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
-
17
-
-
33644525957
-
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
-
DOI 10.1103/PhysRevB.72.245425
-
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, Phys. Rev. B PLRBAQ 0556-2805 72, 245425 (2005). 10.1103/PhysRevB.72.245425 (Pubitemid 43292176)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.24
, pp. 245425
-
-
Hahn, P.H.1
Schmidt, W.G.2
Bechstedt, F.3
-
18
-
-
0035535380
-
-
RMPHAT 0034-6861, 10.1103/RevModPhys.73.515
-
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 73, 515 (2001). 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
-
19
-
-
51349164905
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.78.113303
-
H. F. Wilson, F. Gygi, and G. Galli, Phys. Rev. B PLRBAQ 0556-2805 78, 113303 (2008). 10.1103/PhysRevB.78.113303
-
(2008)
Phys. Rev. B
, vol.78
, pp. 113303
-
-
Wilson, H.F.1
Gygi, F.2
Galli, G.3
-
20
-
-
67649946014
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.79.245106
-
H. F. Wilson, D. Lu, F. Gygi, and G. Galli, Phys. Rev. B PLRBAQ 0556-2805 79, 245106 (2009). 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
-
21
-
-
33645089207
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.96.113001
-
B. Walker, A. M. Saitta, R. Gebauer, and S. Baroni, Phys. Rev. Lett. PRLTAO 0031-9007 96, 113001 (2006). 10.1103/PhysRevLett.96.113001
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 113001
-
-
Walker, B.1
Saitta, A.M.2
Gebauer, R.3
Baroni, S.4
-
22
-
-
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. JCPSA6 0021-9606 128, 154105 (2008). 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
-
23
-
-
67650964169
-
-
CPHCBZ 0010-4655, 10.1016/j.cpc.2009.02.003
-
A. Marini, C. Hogan, M. Grüning, and D. Varsano, Comput. Phys. Commun. CPHCBZ 0010-4655 180, 1392 (2009). 10.1016/j.cpc.2009.02.003
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 1392
-
-
Marini, A.1
Hogan, C.2
Grüning, M.3
Varsano, D.4
-
24
-
-
66349135886
-
-
CHPLBC 0009-2614, 10.1016/j.cplett.2009.05.019
-
D. Rocca, R. Gebauer, F. De Angelis, M. K. Nazeeruddin, and S. Baroni, Chem. Phys. Lett. CHPLBC 0009-2614 475, 49 (2009). 10.1016/j.cplett.2009.05.019
-
(2009)
Chem. Phys. Lett.
, vol.475
, pp. 49
-
-
Rocca, D.1
Gebauer, R.2
De Angelis, F.3
Nazeeruddin, M.K.4
Baroni, S.5
-
25
-
-
65949098410
-
-
JCPSA6 0021-9606, 10.1063/1.3133361
-
L. Huang, D. Rocca, S. Baroni, K. E. Gubbins, and M. B. Nardelli, J. Chem. Phys. JCPSA6 0021-9606 130, 194701 (2009). 10.1063/1.3133361
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 194701
-
-
Huang, L.1
Rocca, D.2
Baroni, S.3
Gubbins, K.E.4
Nardelli, M.B.5
-
26
-
-
72849142427
-
-
NALEFD 1530-6984, 10.1021/nl901970u
-
A. Gali, M. Voros, D. Rocca, G. Zimanyi, and G. Galli, Nano Lett. NALEFD 1530-6984 9, 3780 (2009). 10.1021/nl901970u
-
(2009)
Nano Lett.
, vol.9
, pp. 3780
-
-
Gali, A.1
Voros, M.2
Rocca, D.3
Zimanyi, G.4
Galli, G.5
-
27
-
-
0642270465
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.24.985
-
R. Car, E. Tosatti, S. Baroni, and S. Leelaprute, Phys. Rev. B PLRBAQ 0556-2805 24, 985 (1981). 10.1103/PhysRevB.24.985
-
(1981)
Phys. Rev. B
, vol.24
, pp. 985
-
-
Car, R.1
Tosatti, E.2
Baroni, S.3
Leelaprute, S.4
-
28
-
-
0001276449
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.80.4514
-
L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. PRLTAO 0031-9007 80, 4514 (1998). 10.1103/PhysRevLett.80.4514
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 4514
-
-
Benedict, L.X.1
Shirley, E.L.2
Bohn, R.B.3
-
29
-
-
17344379487
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.68.085310
-
L. X. Benedict, A. Puzder, A. J. Williamson, J. C. Grossman, G. Galli, J. E. Klepeis, J. -Y. Raty, and O. Pankratov, Phys. Rev. B PLRBAQ 0556-2805 68, 085310 (2003). 10.1103/PhysRevB.68.085310
-
(2003)
Phys. Rev. B
, vol.68
, pp. 085310
-
-
Benedict, L.X.1
Puzder, A.2
Williamson, A.J.3
Grossman, J.C.4
Galli, G.5
Klepeis, J.E.6
Raty, J.-Y.7
Pankratov, O.8
-
31
-
-
78149377013
-
-
JOPYA6 0368-3400.
-
I. Tamm, J. Phys. (Moscow) JOPYA6 0368-3400 78, 382 (1945).
-
(1945)
J. Phys. (Moscow)
, vol.78
, pp. 382
-
-
Tamm, I.1
-
32
-
-
0000035906
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.55.10278
-
S. Albrecht, G. Onida, and L. Reining, Phys. Rev. B PLRBAQ 0556-2805 55, 10278 (1997). 10.1103/PhysRevB.55.10278
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10278
-
-
Albrecht, S.1
Onida, G.2
Reining, L.3
-
33
-
-
0032070791
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.80.4510
-
S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. PRLTAO 0031-9007 80, 4510 (1998). 10.1103/PhysRevLett.80.4510
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 4510
-
-
Albrecht, S.1
Reining, L.2
Del Sole, R.3
Onida, G.4
-
34
-
-
12344329971
-
Excitonic effects on the silicon plasmon resonance
-
DOI 10.1103/PhysRevLett.86.5962
-
V. Olevano and L. Reining, Phys. Rev. Lett. PRLTAO 0031-9007 86, 5962 (2001). 10.1103/PhysRevLett.86.5962 (Pubitemid 32609165)
-
(2001)
Physical Review Letters
, vol.86
, Issue.26
, pp. 5962-5965
-
-
Olevano, V.1
Reining, L.2
-
35
-
-
77954754222
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.80.241405
-
Y. Ma, M. Rohlfing, and C. Molteni, Phys. Rev. B PLRBAQ 0556-2805 80, 241405 (2009). 10.1103/PhysRevB.80.241405
-
(2009)
Phys. Rev. B
, vol.80
, pp. 241405
-
-
Ma, Y.1
Rohlfing, M.2
Molteni, C.3
-
36
-
-
68949093910
-
-
NALEFD 1530-6984, 10.1021/nl803717g
-
M. Grüning, A. Marini, and X. Gonze, Nano Lett. NALEFD 1530-6984 9, 2820 (2009). 10.1021/nl803717g
-
(2009)
Nano Lett.
, vol.9
, pp. 2820
-
-
Grüning, M.1
Marini, A.2
Gonze, X.3
-
37
-
-
0000477384
-
-
JUPSAU 0031-9015, 10.1143/JPSJ.29.287
-
K. Shindo, J. Phys. Soc. Jpn. JUPSAU 0031-9015 29, 287 (1970). 10.1143/JPSJ.29.287
-
(1970)
J. Phys. Soc. Jpn.
, vol.29
, pp. 287
-
-
Shindo, K.1
-
38
-
-
78149399369
-
-
in, Erice, Italy, 20-26 July, edited by A. Cricenti (World Scientific, Singapore, 2006)
-
F. Bechstedt, F. Rödl, L. E. Ramos, F. Fuchs, P. H. Hahn, and J. Furthmüller, in Epioptics-9: Proceedings of the 39th Course of the International School of Solid State Physics, Erice, Italy, 20-26 July 2006, edited by, A. Cricenti, (World Scientific, Singapore, 2006), pp. 28-40.
-
(2006)
Epioptics-9: Proceedings of the 39th Course of the International School of Solid State Physics
, pp. 28-40
-
-
Bechstedt, F.1
Rödl, F.2
Ramos, L.E.3
Fuchs, F.4
Hahn, P.H.5
Furthmüller, J.6
-
39
-
-
33744818476
-
Quasiparticle self-consistent GW theory
-
DOI 10.1103/PhysRevLett.96.226402
-
M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 96, 226402 (2006). 10.1103/PhysRevLett.96.226402 (Pubitemid 43839566)
-
(2006)
Physical Review Letters
, vol.96
, Issue.22
, pp. 226402
-
-
Van Schilfgaarde, M.1
Kotani, T.2
Faleev, S.3
-
40
-
-
78149362831
-
-
Ph.D. thesis, École Polytechnique, Palaiseau, France, Available at.
-
F. Bruneval, Ph.D. thesis, École Polytechnique, Palaiseau, France, 2005. Available at http://theory.lsi.polytechnique.fr/people/bruneval/bruneval- these.pdf.
-
(2005)
-
-
Bruneval, F.1
-
41
-
-
33846384374
-
Exchange and correlation effects in electronic excitations of Cu2O
-
DOI 10.1103/PhysRevLett.97.267601
-
F. Bruneval, N. Vast, L. Reining, M. Izquierdo, F. Sirotti, and N. Barrett, Phys. Rev. Lett. PRLTAO 0031-9007 97, 267601 (2006). 10.1103/PhysRevLett.97.267601 (Pubitemid 46135032)
-
(2006)
Physical Review Letters
, vol.97
, Issue.26
, pp. 267601
-
-
Bruneval, F.1
Vast, N.2
Reining, L.3
Izquierdo, M.4
Sirotti, F.5
Barrett, N.6
-
42
-
-
78149365457
-
-
0 results on the single particle wave functions used as input have been investigated, for example, in Refs.
-
0 results on the single particle wave functions used as input have been investigated, for example, in Refs.
-
-
-
-
43
-
-
37749024044
-
-
PRLTAO 0031-9007, 10.1103/PhysRevLett.99.266402
-
M. Gatti, F. Bruneval, V. Olevano, and L. Reining, Phys. Rev. Lett. PRLTAO 0031-9007 99, 266402 (2007). 10.1103/PhysRevLett.99.266402
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 266402
-
-
Gatti, M.1
Bruneval, F.2
Olevano, V.3
Reining, L.4
-
44
-
-
33745737939
-
Effect of self-consistency on quasiparticles in solids
-
DOI 10.1103/PhysRevB.74.045102
-
F. Bruneval, N. Vast, and L. Reining, Phys. Rev. B PLRBAQ 0556-2805 74, 045102 (2006). 10.1103/PhysRevB.74.045102 (Pubitemid 44015533)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.4
, pp. 045102
-
-
Bruneval, F.1
Vast, N.2
Reining, L.3
-
45
-
-
77954992522
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.81.115104
-
P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B PLRBAQ 0556-2805 81, 115104 (2010). 10.1103/PhysRevB.81.115104
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115104
-
-
Umari, P.1
Stenuit, G.2
Baroni, S.3
-
46
-
-
25544479230
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.34.5390
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B PLRBAQ 0556-2805 34, 5390 (1986). 10.1103/PhysRevB.34.5390
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
47
-
-
0012050648
-
-
SSPHAE 0081-1947, 10.1016/S0081-1947(08)60248-9
-
W. G. Aulbur, L. Jönsson, and J. W. Wilkins, Solid State Phys. SSPHAE 0081-1947 54, 1 (1999). 10.1016/S0081-1947(08)60248-9
-
(1999)
Solid State Phys.
, vol.54
, pp. 1
-
-
Aulbur, W.G.1
Jönsson, L.2
Wilkins, J.W.3
-
48
-
-
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 JCOMEL 0953-8984 21, 395502 (2009). 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..
-
49
-
-
78149400645
-
-
See for the download and documentation of the Yambo code.
-
See http://www.yambo-code.org/for the download and documentation of the Yambo code.
-
-
-
-
50
-
-
3342905713
-
-
JCPSA6 0021-9606, 10.1063/1.451721
-
U. Itoh, Y. Toyoshima, H. Onuki, N. Washida, and T. Ibuki, J. Chem. Phys. JCPSA6 0021-9606 85, 4867 (1986). 10.1063/1.451721
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 4867
-
-
Itoh, U.1
Toyoshima, Y.2
Onuki, H.3
Washida, N.4
Ibuki, T.5
-
51
-
-
1642335199
-
Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin-Bacteriochlorin and Bacteriochlorophyll-Spheroidene Complexes
-
DOI 10.1021/ja039556n
-
A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. JACSAT 0002-7863 126, 4007 (2004). 10.1021/ja039556n (Pubitemid 38391893)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.12
, pp. 4007-4016
-
-
Dreuw, A.1
Head-Gordon, M.2
-
52
-
-
0038718069
-
-
JPCBFK 1089-5647, 10.1021/jp034562r
-
A. Dreuw, G. F. Fleming, and M. Head-Gordon, J. Phys. Chem. B JPCBFK 1089-5647 107, 6500 (2003). 10.1021/jp034562r
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 6500
-
-
Dreuw, A.1
Fleming, G.F.2
Head-Gordon, M.3
-
53
-
-
0042881198
-
-
JCPSA6 0021-9606, 10.1063/1.1590951
-
A. Dreuw, J. L. Weisman, and M. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 119, 2943 (2003). 10.1063/1.1590951
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 2943
-
-
Dreuw, A.1
Weisman, J.L.2
Head-Gordon, M.3
-
54
-
-
0032576187
-
Theoretical study of the electronic spectroscopy of peptides. III. Charge-transfer transitions in polypeptides
-
DOI 10.1021/ja981148+
-
L. Serrano-Andŕs and M. Fulscher, J. Am. Chem. Soc. JACSAT 0002-7863 120, 10912 (1998). 10.1021/ja981148+ (Pubitemid 28507437)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.42
, pp. 10912-10920
-
-
Serrano-Andres, L.1
Fulscher, M.P.2
-
55
-
-
0001518180
-
-
MOPHAM 0026-8976, 10.1080/00268979909482888
-
D. J. Tozer, R. D. Amos, N. C. Handy, B. O. Roos, and L. Serrano-Andŕs, Mol. Phys. MOPHAM 0026-8976 97, 859 (1999). 10.1080/00268979909482888
-
(1999)
Mol. Phys.
, vol.97
, pp. 859
-
-
Tozer, D.J.1
Amos, R.D.2
Handy, N.C.3
Roos, B.O.4
Serrano-Andŕs, L.5
-
56
-
-
3142771297
-
-
CHPLBC 0009-2614, 10.1016/j.cplett.2004.06.011
-
T. Yanai, D. P. Tew, and N. C. Handy, Chem. Phys. Lett. CHPLBC 0009-2614 393, 51 (2004). 10.1016/j.cplett.2004.06.011
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 51
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
57
-
-
38849133661
-
Excitation energies in density functional theory: An evaluation and a diagnostic test
-
DOI 10.1063/1.2831900
-
M. J. G. Peach, P. Benfield, T. Helgaker, and D. J. Tozer, J. Chem. Phys. JCPSA6 0021-9606 128, 044118 (2008). 10.1063/1.2831900 (Pubitemid 351200451)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.4
, pp. 044118
-
-
Peach, M.J.G.1
Benfield, P.2
Helgaker, T.3
Tozer, D.J.4
-
58
-
-
0000656146
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.59.5441
-
L. X. Benedict and E. L. Shirley, Phys. Rev. B PLRBAQ 0556-2805 59, 5441 (1999). 10.1103/PhysRevB.59.5441
-
(1999)
Phys. Rev. B
, vol.59
, pp. 5441
-
-
Benedict, L.X.1
Shirley, E.L.2
-
59
-
-
0030470055
-
Theoretical study of the electronic spectroscopy of peptides. 1. The peptidic bond: Primary, secondary, and tertiary amides
-
DOI 10.1021/ja961996+, PII S0002786396019968
-
L. Serrano-Andŕs and M. Fulscher, J. Am. Chem. Soc. JACSAT 0002-7863 118, 12190 (1996). 10.1021/ja961996+ (Pubitemid 27006566)
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.48
, pp. 12190-12199
-
-
Serrano-Andres, L.1
Fulscher, M.P.2
-
60
-
-
0000360455
-
-
TCHAAM 0040-5744, 10.1007/BF01151913
-
K. Kaya and S. Nakagura, Theor. Chim. Acta TCHAAM 0040-5744 7, 117 (1967). 10.1007/BF01151913
-
(1967)
Theor. Chim. Acta
, vol.7
, pp. 117
-
-
Kaya, K.1
Nakagura, S.2
-
61
-
-
0031164346
-
-
JPCAFH 1089-5639, 10.1021/jp970675x
-
J. D. Hirst, D. M. Hirst, and C. L. Brooks III, J. Phys. Chem. A JPCAFH 1089-5639 101, 4821 (1997). 10.1021/jp970675x
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 4821
-
-
Hirst, J.D.1
Hirst, D.M.2
Brooks III, C.L.3
-
62
-
-
34548736472
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.76.115109
-
F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B PLRBAQ 0556-2805 76, 115109 (2007). 10.1103/PhysRevB.76.115109
-
(2007)
Phys. Rev. B
, vol.76
, pp. 115109
-
-
Fuchs, F.1
Furthmüller, J.2
Bechstedt, F.3
Shishkin, M.4
Kresse, G.5
-
63
-
-
67650065437
-
-
PLRBAQ 0556-2805, 10.1103/PhysRevB.79.235114
-
C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PLRBAQ 0556-2805 79, 235114 (2009). 10.1103/PhysRevB.79.235114
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235114
-
-
Rödl, C.1
Fuchs, F.2
Furthmüller, J.3
Bechstedt, F.4
|