-
8
-
-
61749092912
-
-
Jacquemin, D.; Perpète, E. A.; Ciofini, I.; Adamo, C. Acc. Chem. Res. 2009, 42, 326-334
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 326-334
-
-
Jacquemin, D.1
Perpète, E.A.2
Ciofini, I.3
Adamo, C.4
-
9
-
-
0001157659
-
Time-Dependent Density Functional Response Theory for Molecules
-
Chong, D. P. World Scientific: Singapore
-
Casida, M. E. Time-Dependent Density Functional Response Theory for Molecules. In Recent advances in density functional methods; Chong, D. P., Ed.; World Scientific: Singapore, 1995; Vol. 1, pp 155-193.
-
(1995)
Recent Advances in Density Functional Methods
, vol.1
, pp. 155-193
-
-
Casida, M.E.1
-
10
-
-
49449097052
-
-
Cohen, A. J.; Mori-Sanchez, P.; Yang, W. T. Science 2008, 321, 792
-
(2008)
Science
, vol.321
, pp. 792
-
-
Cohen, A.J.1
Mori-Sanchez, P.2
Yang, W.T.3
-
11
-
-
24144452523
-
-
Burke, K.; Werschnik, J.; Gross, E. K. U. J. Chem. Phys. 2005, 123, 062206
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 062206
-
-
Burke, K.1
Werschnik, J.2
Gross, E.K.U.3
-
13
-
-
70449350937
-
-
Jacquemin, D.; Wathelet, V.; Perpète, E. A.; Adamo, C. J. Chem. Theory. Comput. 2009, 5, 2420-2435
-
(2009)
J. Chem. Theory. Comput.
, vol.5
, pp. 2420-2435
-
-
Jacquemin, D.1
Wathelet, V.2
Perpète, E.A.3
Adamo, C.4
-
14
-
-
77950154364
-
-
Caricato, M.; Trucks, G. W.; Frisch, M. J.; Wiberg, K. B. J. Chem. Theory. Comput. 2010, 6, 370-383
-
(2010)
J. Chem. Theory. Comput.
, vol.6
, pp. 370-383
-
-
Caricato, M.1
Trucks, G.W.2
Frisch, M.J.3
Wiberg, K.B.4
-
16
-
-
66749135884
-
-
Goerigk, L.; Moellmann, J.; Grimme, S. Phys. Chem. Chem. Phys. 2009, 11, 4611
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 4611
-
-
Goerigk, L.1
Moellmann, J.2
Grimme, S.3
-
19
-
-
0001518180
-
-
Tozer, D. J.; Amos, R. D.; Handy, N. C.; Roos, B. J.; Serrano-Andrés, L. Mol. Phys. 1999, 97, 859-868
-
(1999)
Mol. Phys.
, vol.97
, pp. 859-868
-
-
Tozer, D.J.1
Amos, R.D.2
Handy, N.C.3
Roos, B.J.4
Serrano-Andrés, L.5
-
21
-
-
38849133661
-
-
Peach, M. J. G.; Benfield, P.; Helgaker, T.; Tozer, D. J. J. Chem. Phys. 2008, 128, 044118
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 044118
-
-
Peach, M.J.G.1
Benfield, P.2
Helgaker, T.3
Tozer, D.J.4
-
22
-
-
56349145209
-
-
Ziegler, T.; Seth, M.; Krykunov, M.; Autschbach, J. J. Chem. Phys. 2008, 129, 184114
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 184114
-
-
Ziegler, T.1
Seth, M.2
Krykunov, M.3
Autschbach, J.4
-
23
-
-
84962439394
-
-
Le Bahers, T.; Adamo, C.; Ciofini, I. J. Chem. Theory Comput. 2011, 7, 2498-2506
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 2498-2506
-
-
Le Bahers, T.1
Adamo, C.2
Ciofini, I.3
-
25
-
-
77954950114
-
-
Bedard-Hearn, M. J.; Sterpone, F.; Rossky, P. J. J. Phys. Chem. A 2010, 114, 7661-7670
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 7661-7670
-
-
Bedard-Hearn, M.J.1
Sterpone, F.2
Rossky, P.J.3
-
27
-
-
84858990537
-
-
Leang, S. S.; Zahariev, F.; Gordon, M. S. J. Chem. Phys. 2012, 136, 104101
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 104101
-
-
Leang, S.S.1
Zahariev, F.2
Gordon, M.S.3
-
28
-
-
68949118058
-
-
Kuhlman, T. S.; Mikkelsen, K. V.; Møller, K. B.; Sølling, T. I. Chem. Phys. Lett. 2009, 478, 127-131
-
(2009)
Chem. Phys. Lett.
, vol.478
, pp. 127-131
-
-
Kuhlman, T.S.1
Mikkelsen, K.V.2
Møller, K.B.3
Sølling, T.I.4
-
29
-
-
66849104456
-
-
Peach, M. J. G.; Ruth Le Sueur, C.; Ruud, K.; Guillaume, M.; Tozer, D. J. Phys. Chem. Chem. Phys. 2009, 11, 4465-4470
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 4465-4470
-
-
Peach, M.J.G.1
Ruth Le Sueur, C.2
Ruud, K.3
Guillaume, M.4
Tozer, D.J.5
-
30
-
-
19844383203
-
Jacob's ladder of density functional approximations for the exchange-correlation energy
-
Antwerp, Belgium, June 8-10, 2000; AIP
-
Perdew, J. P.; Schmidt, K. Jacob's ladder of density functional approximations for the exchange-correlation energy. In Density Functional Theory And Its Application To Materials; AIP Conference Proceedings; Antwerp, Belgium, June 8-10, 2000; AIP: 2001; Vol. 577, pp 1-20.
-
(2001)
Density Functional Theory and Its Application to Materials; AIP Conference Proceedings
, vol.577
, pp. 1-20
-
-
Perdew, J.P.1
Schmidt, K.2
-
31
-
-
79951836039
-
-
Kornobis, K.; Kumar, N.; Wong, B. M.; Lodowski, P.; Jaworska, M.; Andruniów, T.; Ruud, K.; Kozlowski, P. M. J. Phys. Chem. A 2011, 115, 1280-1292
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 1280-1292
-
-
Kornobis, K.1
Kumar, N.2
Wong, B.M.3
Lodowski, P.4
Jaworska, M.5
Andruniów, T.6
Ruud, K.7
Kozlowski, P.M.8
-
33
-
-
69949154145
-
-
Wiggins, P.; Williams, J. A. G.; Tozer, D. J. J. Chem. Phys. 2009, 131, 091101
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 091101
-
-
Wiggins, P.1
Williams, J.A.G.2
Tozer, D.J.3
-
38
-
-
80051636587
-
-
Kuritz, N.; Stein, T.; Baer, R.; Kronik, L. J. Chem. Theory Comput. 2011, 7, 2408-2415
-
(2011)
Chem. Theory Comput.
, vol.7
, pp. 2408-2415
-
-
Kuritz, N.1
Stein, T.2
Baer, R.3
Kronik, L.J.4
-
41
-
-
2942527333
-
-
Fang, H.; Bian, J.; Li, L.; Yang, W. J. Chem. Phys. 2004, 120, 9458-9466
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9458-9466
-
-
Fang, H.1
Bian, J.2
Li, L.3
Yang, W.4
-
42
-
-
84863527821
-
-
Smith, Q. A.; Ruedenberg, K.; Gordon, M. K.; Splipchenko, L. V. J. Chem. Phys. 2012, 136, 244107
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 244107
-
-
Smith, Q.A.1
Ruedenberg, K.2
Gordon, M.K.3
Splipchenko, L.V.4
-
43
-
-
33846625922
-
-
Revision H.11; Gaussian, Inc. Wallingford CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr., J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09 Development Version, Revision H.11; Gaussian, Inc.: Wallingford CT, 2009.
-
(2009)
Gaussian 09 Development Version
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
44
-
-
78650598086
-
-
Guido, C. A.; Jacquemin, D.; Adamo, C.; Mennucci, B. J. Phys. Chem. A 2010, 114, 13402-13410
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 13402-13410
-
-
Guido, C.A.1
Jacquemin, D.2
Adamo, C.3
Mennucci, B.4
-
45
-
-
84877738627
-
-
Guido, C. A.; Knecht, S.; Kongsted, J.; Mennucci, B. J. Chem. Theory Comput. 2013, 9, 2209-2220
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 2209-2220
-
-
Guido, C.A.1
Knecht, S.2
Kongsted, J.3
Mennucci, B.4
-
46
-
-
37449022609
-
-
Preat, J.; Michaux, C.; Lewalle, A.; Perpète, E. A.; Jaquemin, D. Chem. Phys. Lett. 2008, 451, 37-42
-
(2008)
Chem. Phys. Lett.
, vol.451
, pp. 37-42
-
-
Preat, J.1
Michaux, C.2
Lewalle, A.3
Perpète, E.A.4
Jaquemin, D.5
-
47
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
49
-
-
0345491105
-
-
Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
50
-
-
0242593713
-
-
Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 91, 146401
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
53
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
55
-
-
0347319419
-
-
Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129-12137
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129-12137
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
57
-
-
84872733695
-
-
Guido, C. A.; Brémond, E.; Adamo, C.; Cortona, P. J. Chem. Phys. 2013, 138, 021104
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 021104
-
-
Guido, C.A.1
Brémond, E.2
Adamo, C.3
Cortona, P.4
-
59
-
-
52949121365
-
-
Krukau, A. V.; Scuseria, G. E.; Perdew, J. P.; Savin, A. J. Chem. Phys. 2008, 129, 124103
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 124103
-
-
Krukau, A.V.1
Scuseria, G.E.2
Perdew, J.P.3
Savin, A.4
-
60
-
-
3142771297
-
-
Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51-57
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 51-57
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
61
-
-
59949101798
-
-
Rohrdanz, M. A.; Martins, K. M.; Herbert, J. M. J. Chem. Phys. 2009, 130, 054112
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054112
-
-
Rohrdanz, M.A.1
Martins, K.M.2
Herbert, J.M.3
-
62
-
-
84880015366
-
-
Benchmark Assessment Repository. (accessed January 10)
-
Benchmark Assessment Repository. http://www.dur.ac.uk/d.j.tozer/excite3. html (accessed January 10, 2013).
-
(2013)
-
-
-
63
-
-
67749120522
-
-
Stein, T.; Kronik, L.; Baer, R. J. Am. Chem. Soc. 2009, 131, 2818-2820
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2818-2820
-
-
Stein, T.1
Kronik, L.2
Baer, R.3
-
64
-
-
2542450086
-
-
Tawada, Y.; Tsuneda, T.; Yanagisawa, S.; Yanai, T.; Hirao, H. J. Chem. Phys. 2004, 120, 8425-8433
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8425-8433
-
-
Tawada, Y.1
Tsuneda, T.2
Yanagisawa, S.3
Yanai, T.4
Hirao, H.5
-
65
-
-
79251636456
-
-
Jacquemin, D.; Ciofini, I.; Perpète, E. A.; Adamo, C. Theor. Chem. Acc. 2011, 128, 127-136
-
(2011)
Theor. Chem. Acc.
, vol.128
, pp. 127-136
-
-
Jacquemin, D.1
Ciofini, I.2
Perpète, E.A.3
Adamo, C.4
|