-
2
-
-
11944258963
-
-
SCIEAS 0036-8075 10.1126/science.258.5087.1474
-
N.S. Sariciftci, L. Smilowitz, A.J. Heeger, and F. Wudl, Science 258, 1474 (1992); SCIEAS 0036-8075 10.1126/science.258.5087.1474
-
(1992)
Science
, vol.258
, pp. 1474
-
-
Sariciftci, N.S.1
Smilowitz, L.2
Heeger, A.J.3
Wudl, F.4
-
3
-
-
0028765383
-
-
SCIEAS 0036-8075 10.1126/science.265.5173.765
-
S.A. Jenekhe and J.A. Osaheni, Science 265, 765 (1994); SCIEAS 0036-8075 10.1126/science.265.5173.765
-
(1994)
Science
, vol.265
, pp. 765
-
-
Jenekhe, S.A.1
Osaheni, J.A.2
-
4
-
-
10244229148
-
-
CHREAY 0009-2665 10.1021/cr040084k
-
J.L. Bredas, D. Beljonne, V. Coropceanu, and J. Cornil, Chem. Rev. 104, 4971 (2004); CHREAY 0009-2665 10.1021/cr040084k
-
(2004)
Chem. Rev.
, vol.104
, pp. 4971
-
-
Bredas, J.L.1
Beljonne, D.2
Coropceanu, V.3
Cornil, J.4
-
5
-
-
34547607045
-
-
NALEFD 1530-6984 10.1021/nl0707095
-
Y. Kanai and J.C. Grossman, Nano Lett. 7, 1967 (2007). NALEFD 1530-6984 10.1021/nl0707095
-
(2007)
Nano Lett.
, vol.7
, pp. 1967
-
-
Kanai, Y.1
Grossman, J.C.2
-
6
-
-
0012597289
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
-
E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984); PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 997
-
-
Runge, E.1
Gross, E.K.U.2
-
7
-
-
33745778149
-
-
Springer-Verlag, Berlin
-
Time-Dependent Density Functional Theory, edited by M.A.L. Marques, C.A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross (Springer-Verlag, 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
-
8
-
-
70349748795
-
-
THEODJ 0166-1280 10.1016/j.theochem.2009.08.018
-
M.E. Casida, J. Mol. Struct. (Theochem) 914, 3 (2009). THEODJ 0166-1280 10.1016/j.theochem.2009.08.018
-
(2009)
J. Mol. Struct. (Theochem)
, vol.914
, pp. 3
-
-
Casida, M.E.1
-
9
-
-
1642335199
-
-
JACSAT 0002-7863 10.1021/ja039556n
-
A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. 126, 4007 (2004). JACSAT 0002-7863 10.1021/ja039556n
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 4007
-
-
Dreuw, A.1
Head-Gordon, M.2
-
10
-
-
42749105701
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.155112
-
S. Botti, F. Sottile, N. Vast, V. Olevano, L. Reining, H-C. Weissker, A. Rubio, G. Onida, R.Del Sole, and R.W. Godby, Phys. Rev. B 69, 166112 (2004). PRBMDO 0163-1829 10.1103/PhysRevB.69.155112
-
(2004)
Phys. Rev. B
, vol.69
, pp. 166112
-
-
Botti, S.1
Sottile, F.2
Vast, N.3
Olevano, V.4
Reining, L.5
Weissker, H.-C.6
Rubio, A.7
Onida, G.8
Sole R.Del9
Godby, R.W.10
-
12
-
-
33344455128
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2005.12.040
-
R. Kobayashi and R.D. Amos, Chem. Phys. Lett. 420, 106 (2006); CHPLBC 0009-2614 10.1016/j.cplett.2005.12.040
-
(2006)
Chem. Phys. Lett.
, vol.420
, pp. 106
-
-
Kobayashi, R.1
Amos, R.D.2
-
13
-
-
33646838616
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2006.04.037
-
R. Kobayashi R.D. Amos Chem. Phys. Lett. 424, 225(E) (2006). CHPLBC 0009-2614 10.1016/j.cplett.2006.04.037
-
(2006)
Chem. Phys. Lett.
, vol.424
-
-
Kobayashi, R.1
Amos, R.D.2
-
14
-
-
27144553173
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.72.024502
-
Q. Wu and T. van Voorhis, Phys. Rev. A 72, 024502 (2005). PLRAAN 1050-2947 10.1103/PhysRevA.72.024502
-
(2005)
Phys. Rev. A
, vol.72
, pp. 024502
-
-
Wu, Q.1
Van Voorhis, T.2
-
15
-
-
34547252321
-
-
JPCAFH 1089-5639 10.1021/jp068409j
-
Y.M. Rhee and M. Head-Gordon, J. Phys. Chem. A 111, 5314 (2007). JPCAFH 1089-5639 10.1021/jp068409j
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 5314
-
-
Rhee, Y.M.1
Head-Gordon, M.2
-
16
-
-
79960626262
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.187402
-
J.M. Garcia-Lastra and K.S. Thygesen, Phys. Rev. Lett. 106, 187402 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.187402
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 187402
-
-
Garcia-Lastra, J.M.1
Thygesen, K.S.2
-
17
-
-
80555154301
-
-
APPLAB 0003-6951 10.1063/1.3655352
-
X. Blase and C. Attaccalite, Appl. Phys. Lett. 99, 171909 (2011). APPLAB 0003-6951 10.1063/1.3655352
-
(2011)
Appl. Phys. Lett.
, vol.99
, pp. 171909
-
-
Blase, X.1
Attaccalite, C.2
-
18
-
-
78149391910
-
-
JCPSA6 0021-9606 10.1063/1.3494540
-
In the case of intramolecular charge transfer excitations, see: D. Rocca, D.Y. 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.Y.2
Galli, G.3
-
19
-
-
0001284519
-
-
JPCHAX 0022-3654 10.1021/j100658a012
-
I. Hanazaki, J. Phys. Chem. 76, 1982 (1972). JPCHAX 0022-3654 10.1021/j100658a012
-
(1972)
J. Phys. Chem.
, vol.76
, pp. 1982
-
-
Hanazaki, I.1
-
24
-
-
36149016819
-
-
PHRVAO 0031-899X 10.1103/PhysRev.139.A796
-
L. Hedin, Phys. Rev. 139, A796 (1965). PHRVAO 0031-899X 10.1103/PhysRev.139.A796
-
(1965)
Phys. Rev.
, vol.139
, pp. 796
-
-
Hedin, L.1
-
25
-
-
25544479230
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
-
M.S. Hybertsen and S.G. Louie, Phys. Rev. B 34, 5390 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
26
-
-
33748908357
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.10159
-
R.W. Godby, M. Schlüter, and L.J. Sham, Phys. Rev. B 37, 10159 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.10159
-
(1988)
Phys. Rev. B
, vol.37
, pp. 10159
-
-
Godby, R.W.1
Schlüter, M.2
Sham, L.J.3
-
27
-
-
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
-
28
-
-
36049053908
-
-
PHRVAO 0031-899X 10.1103/PhysRev.144.708
-
L.J. Sham and T.M. Rice, Phys. Rev. 144, 708 (1966); PHRVAO 0031-899X 10.1103/PhysRev.144.708
-
(1966)
Phys. Rev.
, vol.144
, pp. 708
-
-
Sham, L.J.1
Rice, T.M.2
-
29
-
-
14244267218
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.43.387
-
W. Hanke and L.J. Sham, Phys. Rev. Lett. 43, 387 (1979). PRLTAO 0031-9007 10.1103/PhysRevLett.43.387
-
(1979)
Phys. Rev. Lett.
, vol.43
, pp. 387
-
-
Hanke, W.1
Sham, L.J.2
-
30
-
-
4243988751
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.49.1519
-
G. Strinati, Phys. Rev. Lett. 49, 1519 (1982); PRLTAO 0031-9007 10.1103/PhysRevLett.49.1519
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1519
-
-
Strinati, G.1
-
33
-
-
11744322252
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.3320
-
M. Rohlfing and S.G. Louie, Phys. Rev. Lett. 80, 3320 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.3320
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 3320
-
-
Rohlfing, M.1
Louie, S.G.2
-
35
-
-
0032070791
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.4510
-
S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. 80, 4510 (1998). PRLTAO 0031-9007 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
-
36
-
-
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
-
37
-
-
77954754222
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.80.241405
-
Y. Ma, M. Rohlfing, and C. Molteni, Phys. Rev. B 80, 241405 (2009); PRBMDO 0163-1829 10.1103/PhysRevB.80.241405
-
(2009)
Phys. Rev. B
, vol.80
, pp. 241405
-
-
Ma, Y.1
Rohlfing, M.2
Molteni, C.3
-
39
-
-
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
-
40
-
-
84867564206
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.109.167801 for convergence tests on the bases size, the number of empty states used in the present calculations, and the atomic coordinates for the isolated bacteriochlorins.
-
-
-
-
41
-
-
0037171091
-
-
JCOMEL 0953-8984 10.1088/0953-8984/14/11/302
-
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
-
(2002)
J. Phys. Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
García, A.4
Junquera, J.5
Ordejón, P.6
Sánchez-Portal, D.7
-
42
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
We use standard norm-conserving pseudopotentials. See: N. Troullier and J.-L. Martins, Phys. Rev. B 43, 1993 (1991). For Zn, we include the 3 (s, p) semicore states in the valence to account for the core-valence exchange. However, very small differences are observed as compared to a calculation with frozen semicore states. PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.-L.2
-
43
-
-
0029968952
-
-
JACSAT 0002-7863 10.1021/ja9624376
-
J. Vasudevan, R.T. Stibrany, J. Bumby, S. Knapp, J.A. Potenza, T.J. Emge, and H.J. Schugar, J. Am. Chem. Soc. 118, 11676 (1996). JACSAT 0002-7863 10.1021/ja9624376
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11676
-
-
Vasudevan, J.1
Stibrany, R.T.2
Bumby, J.3
Knapp, S.4
Potenza, J.A.5
Emge, T.J.6
Schugar, H.J.7
-
44
-
-
0002136604
-
-
D. Dolphin (Academic, New York
-
H. Scheer and H.H. Inhoffen, in The Porphyrins edited by, D. Dolphin, (Academic, New York, 1978), Vol. 2, p. 45.
-
(1978)
The Porphyrins
, vol.2
, pp. 45
-
-
Scheer, H.1
Inhoffen, H.H.2
-
45
-
-
15744375697
-
-
Gaussian, Inc., Wallingford, CT
-
M.J. Frisch, GAUSSIAN 03, Revision C.02 (Gaussian, Inc., Wallingford, CT, 2004). Coordinates are given in the Supplemental Materials.
-
(2004)
GAUSSIAN 03, Revision C.02
-
-
Frisch, M.J.1
-
46
-
-
50849113774
-
-
JCPSA6 0021-9606 10.1063/1.2973627
-
L. Tiago, P.R.C. Kent, R.Q. Hood, and F.A. Reboredo, J. Chem. Phys. 129, 084311 (2008). JCPSA6 0021-9606 10.1063/1.2973627
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 084311
-
-
Tiago, L.1
Kent, P.R.C.2
Hood, R.Q.3
Reboredo, F.A.4
-
47
-
-
69549086153
-
-
JCPSA6 0021-9606 10.1063/1.3204938
-
M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio, J. Chem. Phys. 131, 084102 (2009). JCPSA6 0021-9606 10.1063/1.3204938
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084102
-
-
Palummo, M.1
Hogan, C.2
Sottile, F.3
Bagala, P.4
Rubio, A.5
-
48
-
-
84858682572
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.125307
-
S. Sharifzadeh, A. Biller, L. Kronik, and J.B. Neaton, Phys. Rev. B 85, 125307 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.125307
-
(2012)
Phys. Rev. B
, vol.85
, pp. 125307
-
-
Sharifzadeh, S.1
Biller, A.2
Kronik, L.3
Neaton, J.B.4
-
49
-
-
33644525957
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.72.245425
-
P.H. Hahn, W.G. Schmidt, and F. Bechstedt, Phys. Rev. B 72, 245425 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.72.245425
-
(2005)
Phys. Rev. B
, vol.72
, pp. 245425
-
-
Hahn, P.H.1
Schmidt, W.G.2
Bechstedt, F.3
-
51
-
-
82755179967
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.205415
-
S.-H. Ke, Phys. Rev. B 84, 205415 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.205415
-
(2011)
Phys. Rev. B
, vol.84
, pp. 205415
-
-
Ke, S.-H.1
-
52
-
-
82655172792
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.195143
-
N. Marom, X. Ren, J.E. Moussa, J.R. Chelikowsky, and L. Kronik, Phys. Rev. B 84, 195143 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.195143
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195143
-
-
Marom, N.1
Ren, X.2
Moussa, J.E.3
Chelikowsky, J.R.4
Kronik, L.5
-
53
-
-
80455150109
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.155104
-
C. Faber, J.L. Janssen, M. Côté, E. Runge, and X. Blase, Phys. Rev. B 84, 155104 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.155104
-
(2011)
Phys. Rev. B
, vol.84
, pp. 155104
-
-
Faber, C.1
Janssen, J.L.2
Côté, M.3
Runge, E.4
Blase, X.5
-
54
-
-
0042813364
-
-
JMOSA3 0022-2852 10.1016/0022-2852(61)90236-3
-
* transitions, below the strongest Soret " B " lines. The x and y labels indicate the polarization of the light that activates the transition. See: 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
-
55
-
-
68949093910
-
-
NALEFD 1530-6984 10.1021/nl803717g
-
M. Grüning, A. Marini, and X. Gonze, Nano Lett. 9, 2820 (2009). NALEFD 1530-6984 10.1021/nl803717g
-
(2009)
Nano Lett.
, vol.9
, pp. 2820
-
-
Grüning, M.1
Marini, A.2
Gonze, X.3
-
56
-
-
3142771297
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2004.06.011
-
T. Yanai, D.P. Tew, and N.C. Handy, Chem. Phys. Lett. 393, 51 (2004). CHPLBC 0009-2614 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
-
58
-
-
77956071264
-
-
JCPSA6 0021-9606 10.1063/1.3466765
-
For a recent analysis, see: A. Grüneis, M. Marsman, and G. Kresse, J. Chem. Phys. 133, 074107 (2010) and references therein. JCPSA6 0021-9606 10.1063/1.3466765
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 074107
-
-
Grüneis, A.1
Marsman, M.2
Kresse, G.3
|