-
1
-
-
67449108637
-
-
ARPLAP 0066-426X 10.1146/annurev.physchem.040808.090259
-
Y.-C. Cheng and G. R. Fleming, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 10.1146/annurev.physchem.040808.090259 60, 241 (2009).
-
(2009)
Annu. Rev. Phys. Chem.
, vol.60
, pp. 241
-
-
Cheng, Y.-C.1
Fleming, G.R.2
-
2
-
-
0036759653
-
-
CHREAY 0009-2665 10.1021/cr0101252
-
S. Tretiak and S. Mukamel, Chem. Rev. CHREAY 0009-2665 10.1021/cr0101252 102, 3171 (2002).
-
(2002)
Chem. Rev.
, vol.102
, pp. 3171
-
-
Tretiak, S.1
Mukamel, S.2
-
4
-
-
0022594397
-
-
APPLAB 0003-6951 10.1063/1.96937
-
C. W. Tang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.96937 48, 183 (1986).
-
(1986)
Appl. Phys. Lett.
, vol.48
, pp. 183
-
-
Tang, C.W.1
-
5
-
-
77950124038
-
-
APPLAB 1936-0851 10.1021/nn100422a
-
J. I. Basham, G. K. Mor, and C. A. Grimes, ACS Nano APPLAB 1936-0851 10.1021/nn100422a 4, 1253 (2010).
-
(2010)
ACS Nano
, vol.4
, pp. 1253
-
-
Basham, J.I.1
Mor, G.K.2
Grimes, C.A.3
-
6
-
-
0033552919
-
-
NATUAS 0028-0836 10.1038/16393
-
R. H. Friend, Nature (London) NATUAS 0028-0836 10.1038/16393 397, 121 (1999).
-
(1999)
Nature (London)
, vol.397
, pp. 121
-
-
Friend, R.H.1
-
7
-
-
0036142384
-
-
CMPHC2 0301-0104 10.1016/S0301-0104(01)00533-X
-
G. D. Scholes, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(01)00533-X 275, 373 (2002).
-
(2002)
Chem. Phys.
, vol.275
, pp. 373
-
-
Scholes, G.D.1
-
8
-
-
0001171934
-
-
JPCBFK 1520-6106 10.1021/jp993435l
-
G. D. Scholes and G. R. Fleming, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp993435l 104, 1854 (2000).
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 1854
-
-
Scholes, G.D.1
Fleming, G.R.2
-
9
-
-
0032568640
-
-
PNASA6 0027-8424 10.1073/pnas.95.11.5935
-
X. Hu, A. Damjanović, T. Ritz, and K. Schulten, Proc. Natl. Acad. Sci. USA. PNASA6 0027-8424 10.1073/pnas.95.11.5935 95, 5935 (1998).
-
(1998)
Proc. Natl. Acad. Sci. USA.
, vol.95
, pp. 5935
-
-
Hu, X.1
Damjanović, A.2
Ritz, T.3
Schulten, K.4
-
10
-
-
0345060761
-
-
CHREAY 0009-2665 10.1021/cr00005a007
-
M. D. Newton, Chem. Rev. CHREAY 0009-2665 10.1021/cr00005a007 91, 767 (1991).
-
(1991)
Chem. Rev.
, vol.91
, pp. 767
-
-
Newton, M.D.1
-
11
-
-
3943082506
-
-
CHREAY 0009-2665 10.1021/cr941193+
-
S. Speiser, Chem. Rev. CHREAY 0009-2665 10.1021/cr941193+ 96, 1953 (1996).
-
(1996)
Chem. Rev.
, vol.96
, pp. 1953
-
-
Speiser, S.1
-
12
-
-
34250965243
-
-
NATWAY 0028-1042 10.1007/BF00585226
-
Th. Förster, Naturwiss. NATWAY 0028-1042 10.1007/BF00585226 33, 166 (1946).
-
(1946)
Naturwiss.
, vol.33
, pp. 166
-
-
Förster, Th.1
-
13
-
-
84981779372
-
-
ANPYA2 0003-3804 10.1002/andp.19484370105
-
Th. Förster, Ann. Phys. (NY) ANPYA2 0003-3804 10.1002/andp. 19484370105 437, 55 (1948).
-
(1948)
Ann. Phys. (NY)
, vol.437
, pp. 55
-
-
Förster, Th.1
-
14
-
-
0002413436
-
-
in edited by O. Sinnanoglu Academic Press, New York
-
Th. Förster, in Modern Quantum Chemistry, edited by, O. Sinnanoglu, (Academic Press, New York, 1965), Vol. 3, pp. 93-137.
-
(1965)
Modern Quantum Chemistry
, pp. 93-137
-
-
Förster, Th.1
-
15
-
-
0043283159
-
-
ARPLAP 0066-426X 10.1146/annurev.physchem.54.011002.103746
-
G. D. Scholes, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 10.1146/annurev.physchem.54.011002.103746 54, 57 (2003).
-
(2003)
Annu. Rev. Phys. Chem.
, vol.54
, pp. 57
-
-
Scholes, G.D.1
-
16
-
-
33846478315
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.98.047802
-
R. Métivier, F. Nolde, K. Müllen, and T. Basché, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.047802 98, 047802 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 047802
-
-
Métivier, R.1
Nolde, F.2
Müllen, K.3
Basché, T.4
-
17
-
-
33748804923
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2006.07.030
-
Ch. Scharf, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2006.07.030 328, 403 (2006).
-
(2006)
Chem. Phys.
, vol.328
, pp. 403
-
-
Scharf, Ch.1
-
18
-
-
33846511164
-
-
CMATEX 0897-4756 10.1021/cm061747c
-
P. Bauer, H. Wietasch, S. M. Lindner, and M. Thelakkat, Chem. Mater. CMATEX 0897-4756 10.1021/cm061747c 19, 88 (2007).
-
(2007)
Chem. Mater.
, vol.19
, pp. 88
-
-
Bauer, P.1
Wietasch, H.2
Lindner, S.M.3
Thelakkat, M.4
-
20
-
-
67650594790
-
-
JCPSA6 1022-1336 10.1002/marc.200900309
-
F. Laquai, Y.-S. Park, J.-J. Kim, and T. Basché, Macromol. Rapid Commun. JCPSA6 1022-1336 10.1002/marc.200900309 30, 1203 (2009).
-
(2009)
Macromol. Rapid Commun.
, vol.30
, pp. 1203
-
-
Laquai, F.1
Park, Y.-S.2
Kim, J.-J.3
Basché, T.4
-
21
-
-
67650094907
-
-
JPCBFK 1520-6106 10.1021/jp900708f
-
D. Beljonne, C. Curutchet, G. D. Scholes, and R. J. Silbey, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp900708f 113, 6583 (2009).
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6583
-
-
Beljonne, D.1
Curutchet, C.2
Scholes, G.D.3
Silbey, R.J.4
-
23
-
-
0017795758
-
-
ARBOAW 0066-4154 10.1146/annurev.bi.47.070178.004131
-
L. Stryer, Annu. Rev. Biochem. ARBOAW 0066-4154 10.1146/annurev.bi.47. 070178.004131 47, 819 (1978).
-
(1978)
Annu. Rev. Biochem.
, vol.47
, pp. 819
-
-
Stryer, L.1
-
24
-
-
70349786350
-
-
ARBOAW 1433-7851 10.1002/anie.200900188
-
R. Ziessel, M. A. H. Alamiry, K. J. Elliott, and A. Harriman, Angew. Chem. Int. Ed. ARBOAW 1433-7851 10.1002/anie.200900188 48, 2772 (2009).
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 2772
-
-
Ziessel, R.1
Alamiry, M.A.H.2
Elliott, K.J.3
Harriman, A.4
-
29
-
-
65649089451
-
-
JPCAFH 1089-5639 10.1021/jp811395r
-
E. Dolghih, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp811395r 113, 4639 (2009).
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 4639
-
-
Dolghih, E.1
-
30
-
-
33144461104
-
-
PIAADM 0253-4134 10.1007/BF02708762
-
S. Saini, H. Singh, and B. Bagchi, J. Chem. Sci. PIAADM 0253-4134 10.1007/BF02708762 118, 23 (2006).
-
(2006)
J. Chem. Sci.
, vol.118
, pp. 23
-
-
Saini, S.1
Singh, H.2
Bagchi, B.3
-
31
-
-
34447644400
-
-
JPPCEJ 1010-6030 10.1016/j.jphotochem.2007.02.016
-
S. Saini, S. Bhowmick, V. B. Shenoy, and B. Bagchi, J. Photochem. Photobiol. A: Chem. JPPCEJ 1010-6030 10.1016/j.jphotochem.2007.02.016 190, 335 (2007).
-
(2007)
J. Photochem. Photobiol. A: Chem.
, vol.190
, pp. 335
-
-
Saini, S.1
Bhowmick, S.2
Shenoy, V.B.3
Bagchi, B.4
-
32
-
-
43949103409
-
-
JCPSA6 0021-9606 10.1063/1.2913247
-
R. Baer and E. Rabani, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2913247 128, 184710 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 184710
-
-
Baer, R.1
Rabani, E.2
-
33
-
-
67049113893
-
-
JCPSA6 1932-7447 10.1021/jp811042t
-
H. Tamura, J.-M. Mallet, M. Oheim, and I. Burghardt, J. Phys. Chem. C JCPSA6 1932-7447 10.1021/jp811042t 113, 7548 (2009).
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 7548
-
-
Tamura, H.1
Mallet, J.-M.2
Oheim, M.3
Burghardt, I.4
-
34
-
-
0035250028
-
-
JCPSA6 0021-9606 10.1063/1.1338531
-
C.-P. Hsu, G. R. Fleming, M. Head-Gordon, and T. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1338531 114, 3065 (2000).
-
(2000)
J. Chem. Phys.
, vol.114
, pp. 3065
-
-
Hsu, C.-P.1
Fleming, G.R.2
Head-Gordon, M.3
Head-Gordon, T.4
-
36
-
-
34047256403
-
-
JCPSA6 0021-9606 10.1063/1.2713754
-
J. Neugebauer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2713754 126, 134116 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 134116
-
-
Neugebauer, J.1
-
37
-
-
39849098590
-
-
JPCBFK 1520-6106 10.1021/jp709956k
-
J. Neugebauer, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp709956k 112, 2207 (2008).
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 2207
-
-
Neugebauer, J.1
-
38
-
-
39749117650
-
-
JCPSA6 0021-9606 10.1063/1.2829531
-
B. Fückel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2829531 128, 074505 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 074505
-
-
Fückel, B.1
-
40
-
-
47949119798
-
-
JCPSA6 0021-9606 10.1063/1.2953716
-
A. Muñoz-Losa, C. Curutchet, I. F. Galván, and B. Mennucci, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2953716 129, 034104 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 034104
-
-
Muñoz-Losa, A.1
Curutchet, C.2
Galván, I.F.3
Mennucci, B.4
-
41
-
-
67849118682
-
-
JCPSA6 1549-9618 10.1021/ct9001366
-
C. Curutchet, J. Chem. Theory Comput. JCPSA6 1549-9618 10.1021/ct9001366 5, 1838 (2009).
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1838
-
-
Curutchet, C.1
-
42
-
-
0001157659
-
-
in 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), Vol. 1, Chap. 5, pp. 155-192.
-
(1995)
Recent Advances in Density Functional Methods, Part i
, pp. 155-192
-
-
Casida, M.E.1
-
43
-
-
0002301101
-
-
in edited by R. F. Nalewajski, Top. Curr. Chem. (Springer, Berlin
-
E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory, edited by, R. F. Nalewajski, Top. Curr. Chem. (Springer, Berlin, 1996), Vol. 181, p. 81.
-
(1996)
Density Functional Theory
, pp. 81
-
-
Gross, E.K.U.1
Dobson, J.F.2
Petersilka, M.3
-
44
-
-
0007910697
-
-
in edited by H. G. Muller and M. V. Fedorov (Kluwer, Dordrecht
-
C. A. Ullrich, S. Erhard, and E. K. U. Gross, in Super Intense Laser Atom Physics IV, Nato ASI series 3/13, edited by, H. G. Muller, and, M. V. Fedorov, (Kluwer, Dordrecht, 1996), p. 267.
-
(1996)
Super Intense Laser Atom Physics IV
, pp. 267
-
-
Ullrich, C.A.1
Erhard, S.2
Gross, E.K.U.3
-
45
-
-
0001456831
-
-
JCPSA6 1098-0121 10.1103/PhysRevB.54.4484
-
K. Yabana and G. F. Bertsch, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.54.4484 54, 4484 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 4484
-
-
Yabana, K.1
Bertsch, G.F.2
-
47
-
-
0000131593
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.55.3406
-
X.-M. Tong and S.-I. Chu, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.55.3406 55, 3406 (1997).
-
(1997)
Phys. Rev. A
, vol.55
, pp. 3406
-
-
Tong, X.-M.1
Chu, S.-I.2
-
48
-
-
0002805577
-
-
IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1999)75:1<55::AID-QUA63.0. CO;2-K
-
K. Yabana and G. F. Bertsch, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1999)75:1<55::AID-QUA63.0.CO;2-K 75, 55 (1999).
-
(1999)
Int. J. Quantum Chem.
, vol.75
, pp. 55
-
-
Yabana, K.1
Bertsch, G.F.2
-
49
-
-
0001389025
-
-
PRPLCM 0370-1573 10.1016/S0370-1573(00)00043-0
-
F. Calvayrac, P.-G. Reinhard, E. Suraud, and C. A. Ullrich, Phys. Rep. PRPLCM 0370-1573 10.1016/S0370-1573(00)00043-0 337, 493 (2000).
-
(2000)
Phys. Rep.
, vol.337
, pp. 493
-
-
Calvayrac, F.1
Reinhard, P.-G.2
Suraud, E.3
Ullrich, C.A.4
-
50
-
-
3342927029
-
-
ARPLAP 0066-426X 10.1146/annurev.physchem.55.091602.094449
-
M. A. L. Marques and E. K. U. Gross, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 10.1146/annurev.physchem.55.091602.094449 55, 427 (2004).
-
(2004)
Annu. Rev. Phys. Chem.
, vol.55
, pp. 427
-
-
Marques, M.A.L.1
Gross, E.K.U.2
-
51
-
-
34447335612
-
-
ARPLAP 1098-0121 10.1103/PhysRevB.76.035413
-
M. Mundt and S. Kümmel, Phys. Rev. B ARPLAP 1098-0121 10.1103/PhysRevB.76.035413 76, 035413 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 035413
-
-
Mundt, M.1
Kümmel, S.2
-
52
-
-
70349266726
-
-
ARPLAP 0219-6336 10.1142/S0219633609004915
-
M. Mundt, J. Theor. Comput. Chem. ARPLAP 0219-6336 10.1142/ S0219633609004915 8, 561 (2009).
-
(2009)
J. Theor. Comput. Chem.
, vol.8
, pp. 561
-
-
Mundt, M.1
-
54
-
-
0043269811
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.90.258101
-
M. A. L. Marques, X. Lopez, D. Varsano, A. Castro, and A. Rubio, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.258101 90, 258101 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 258101
-
-
Marques, M.A.L.1
Lopez, X.2
Varsano, D.3
Castro, A.4
Rubio, A.5
-
55
-
-
0037351976
-
-
CPHCBZ 0010-4655 10.1016/S0010-4655(02)00686-0
-
M. A. L. Marques, A. Castro, G. F. Bertsch, and A. Rubio, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(02)00686-0 151, 60 (2003).
-
(2003)
Comput. Phys. Commun.
, vol.151
, pp. 60
-
-
Marques, M.A.L.1
Castro, A.2
Bertsch, G.F.3
Rubio, A.4
-
57
-
-
33747770253
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.74.022511
-
M. Mundt and S. Kümmel, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.74.022511 74, 022511 (2006).
-
(2006)
Phys. Rev. A
, vol.74
, pp. 022511
-
-
Mundt, M.1
Kümmel, S.2
-
58
-
-
38949161803
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.100.056404
-
H. O. Wijewardane and C. A. Ullrich, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.056404 100, 056404 (2008).
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 056404
-
-
Wijewardane, H.O.1
Ullrich, C.A.2
-
59
-
-
18244397526
-
-
JCPSA6 0021-9606 10.1063/1.1699044
-
D. L. Dexter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1699044 21, 836 (1953).
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 836
-
-
Dexter, D.L.1
-
60
-
-
66449116600
-
-
ACHRE4 0001-4842 10.1021/ar800153f
-
C.-P. Hsu, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar800153f 42, 509 (2009).
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 509
-
-
Hsu, C.-P.1
-
61
-
-
33645426115
-
-
Norm conserving pseudopotentials of Troullier-Martins [, ARPLAP 1098-0121 10.1103/PhysRevB.43.1993
-
Norm conserving pseudopotentials of Troullier-Martins [N. Troullier and J. L. Martins, Phys. Rev. B ARPLAP 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991)] type were used.
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
62
-
-
77954898860
-
-
In test calculations the actual differences that we observed in the dynamics when using either vHddv or vHddE were rather small. This was a consequence of low density in the regions of space where the two approximations differ.
-
In test calculations the actual differences that we observed in the dynamics when using either v H dd v or v H dd E were rather small. This was a consequence of low density in the regions of space where the two approximations differ.
-
-
-
-
63
-
-
28844482562
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.203004
-
M. Mundt and S. Kümmel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.203004 95, 203004 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 203004
-
-
Mundt, M.1
Kümmel, S.2
-
64
-
-
38049123534
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.80.3
-
S. Kümmel and L. Kronik, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.80.3 80, 3 (2008).
-
(2008)
Rev. Mod. Phys.
, vol.80
, pp. 3
-
-
Kümmel, S.1
Kronik, L.2
-
66
-
-
41749086888
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.100.133004
-
T. Körzdörfer, M. Mundt, and S. Kümmel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.133004 100, 133004 (2008).
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 133004
-
-
Körzdörfer, T.1
Mundt, M.2
Kümmel, S.3
-
67
-
-
77954936398
-
-
Charge-transfer states may also play a role at large separation if they enter, e.g., as pathways that are not optically excited. In our study here we focus on optical excitation.
-
Charge-transfer states may also play a role at large separation if they enter, e.g., as pathways that are not optically excited. In our study here we focus on optical excitation.
-
-
-
-
68
-
-
77954924843
-
-
As local approximations always underestimate the charge-transfer excitation energy, one will see the charge transfer earlier when using local functionals than it occurs in nature (i.e., one will be warned when monitoring the charge in the real-time approach).
-
As local approximations always underestimate the charge-transfer excitation energy, one will see the charge transfer earlier when using local functionals than it occurs in nature (i.e., one will be warned when monitoring the charge in the real-time approach).
-
-
-
-
69
-
-
33646134373
-
-
PSSBBD 0370-1972 10.1002/pssb.200541463
-
L. Kronik, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200541463 243, 1063 (2006).
-
(2006)
Phys. Status Solidi B
, vol.243
, pp. 1063
-
-
Kronik, L.1
-
70
-
-
0000935885
-
-
JCPSA6 0021-9606 10.1063/1.481031
-
D. Beljonne, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481031 112, 4749 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 4749
-
-
Beljonne, D.1
-
73
-
-
77954950017
-
-
The change in the excitation energies when going from TDLDA to a functional including a percentage of exact exchange [time-dependent Becke three-parameter Lee-Yang-Parr hybrid functional (TDB3LYP)] are of the order of 0.2 eV for the excitations of C7H6O that carry appreciable oscillator strength. As charge-transfer excitations would be more sensitive to the fraction of the Fock exchange this is another confirmation for the fact that we are not looking at charge-transfer excitations.
-
The change in the excitation energies when going from TDLDA to a functional including a percentage of exact exchange [time-dependent Becke three-parameter Lee-Yang-Parr hybrid functional (TDB3LYP)] are of the order of 0.2 eV for the excitations of C 7 H 6 O that carry appreciable oscillator strength. As charge-transfer excitations would be more sensitive to the fraction of the Fock exchange this is another confirmation for the fact that we are not looking at charge-transfer excitations.
-
-
-
-
74
-
-
77954892510
-
-
We checked up to a separation of 40 bohr that the differences in the dipole moment decrease continuously.
-
We checked up to a separation of 40 bohr that the differences in the dipole moment decrease continuously.
-
-
-
-
75
-
-
0008436075
-
-
Dt. Verl. der Wiss., Berlin
-
A. S. Davydov, Quantenmechanik (Dt. Verl. der Wiss., Berlin, 1967), p. 519.
-
(1967)
Quantenmechanik
, pp. 519
-
-
Davydov, A.S.1
-
76
-
-
84984119543
-
-
PSSBBD 0370-1972 10.1002/pssb.19680300142
-
A. S. Davydov, Phys. Status Solidi PSSBBD 0370-1972 10.1002/pssb. 19680300142 30, 357 (1968).
-
(1968)
Phys. Status Solidi
, vol.30
, pp. 357
-
-
Davydov, A.S.1
-
79
-
-
3342998833
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.90.043005
-
H. Appel, E. K. U. Gross, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.043005 90, 043005 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 043005
-
-
Appel, H.1
Gross, E.K.U.2
Burke, K.3
-
80
-
-
77954948030
-
-
P. Elliott, K. Burke, and F. Furche, arXiv: cond-mat/0703590
-
P. Elliott, K. Burke, and F. Furche, arXiv: cond-mat/0703590.
-
-
-
-
83
-
-
77954930540
-
-
turbomole V6.0 2009, a development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, turbomole GmbH, since
-
turbomole V6.0 2009, a development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, turbomole GmbH, since 2007; available from [http://www.turbomole.com].
-
(2007)
-
-
-
84
-
-
4243539377
-
-
CHPLBC 0009-2614 10.1016/0009-2614(89)85118-8
-
R. Ahlrichs, M. Baer, M. Haeser, H. Horn, and C. Koelmel, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(89)85118-8 162, 165 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Baer, M.2
Haeser, M.3
Horn, H.4
Koelmel, C.5
-
85
-
-
20844440459
-
-
in edited by M. Olivucci (Elsevier, Amsterdam
-
F. Furche and D. Rappoport, in Computational Photochemistry, Theoretical and Computational Chemistry, edited by, M. Olivucci, (Elsevier, Amsterdam, 2005), Vol. 16, Chap. III.
-
(2005)
Computational Photochemistry
-
-
Furche, F.1
Rappoport, D.2
-
87
-
-
77954924509
-
-
Walter de Gruyter, Berlin
-
C. Cohen-Tannoudji, B. Diu, and F. Laloë, Quantenmechanik Band 1 (Walter de Gruyter, Berlin, 2009) p. 374.
-
(2009)
Quantenmechanik Band 1
, pp. 374
-
-
Cohen-Tannoudji, C.1
Diu, B.2
Laloë, F.3
|