-
2
-
-
0000741029
-
-
10.1103/PhysRevA.26.2395
-
J. Schirmer, Phys. Rev. A 26, 2395 (1982). 10.1103/PhysRevA.26.2395
-
(1982)
Phys. Rev. A
, vol.26
, pp. 2395
-
-
Schirmer, J.1
-
3
-
-
33746563448
-
-
10.1039/b517914a
-
Y. Shao, L. F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. DiStasio Jr., R. C. Lochan, T. Wang, G. J. Beran, N. A. Besley, J. M. Herbert, C. Yeh Lin, T. Van Voorhis, S. Hung Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. Min Rhee, J. Ritchie, E. Rosta, C. David Sherrill, A. C. Simmonett, J. E. Subotnik, H. Lee Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill, and M. Head-Gordon, Phys. Chem. Chem. Phys. 8, 3172 (2006). 10.1039/b517914a
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
Distasio, Jr.R.A.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.14
Besley, N.A.15
Herbert, J.M.16
Yeh Lin, C.17
Van Voorhis, T.18
Hung Chien, S.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Min Rhee, Y.50
Ritchie, J.51
Rosta, E.52
David Sherrill, C.53
Simmonett, A.C.54
Subotnik, J.E.55
Lee Woodcock III, H.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
Chipman, D.M.60
Keil, F.J.61
Warshel, A.62
Hehre, W.J.63
Schaefer III, H.F.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
5
-
-
84896753259
-
-
10.1080/00268976.2013.859313
-
M. Wormit, D. R. Rehn, P. H. Harbach, J. Wenzel, C. M. Krauter, E. Epifanovsky, and A. Dreuw, Mol. Phys. 112, 774 (2014). 10.1080/00268976.2013. 859313
-
(2014)
Mol. Phys.
, vol.112
, pp. 774
-
-
Wormit, M.1
Rehn, D.R.2
Harbach, P.H.3
Wenzel, J.4
Krauter, C.M.5
Epifanovsky, E.6
Dreuw, A.7
-
6
-
-
24544432103
-
-
10.1103/PhysRev.97.1474
-
P.-O. Lowdin, Phys. Rev. 97, 1474 (1955). 10.1103/PhysRev.97.1474
-
(1955)
Phys. Rev.
, vol.97
, pp. 1474
-
-
Lowdin, P.-O.1
-
8
-
-
0037444696
-
-
10.1063/1.1558471
-
R. L. Martin, J. Chem. Phys. 118, 4775 (2003). 10.1063/1.1558471
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 4775
-
-
Martin, R.L.1
-
9
-
-
33947209013
-
-
10.1016/j.cplett.2007.02.038
-
I. Mayer, Chem. Phys. Lett. 437, 284 (2007). 10.1016/j.cplett.2007.02.038
-
(2007)
Chem. Phys. Lett.
, vol.437
, pp. 284
-
-
Mayer, I.1
-
10
-
-
84907549145
-
-
10.1002/qua.560200810
-
H. Lischka, R. Shepard, F. B. Brown, and I. Shavitt, Int. J. Quantum Chem. S15, 91 (1981). 10.1002/qua.560200810
-
(1981)
Int. J. Quantum Chem.
, vol.15
, pp. 91
-
-
Lischka, H.1
Shepard, R.2
Brown, F.B.3
Shavitt, I.4
-
11
-
-
84990642394
-
-
10.1002/qua.560340819
-
R. Shepard, I. Shavitt, R. M. Pitzer, D. C. Comeau, M. Pepper, H. Lischka, P. G. Szalay, R. Ahlrichs, F. B. Brown, and J. G. Zhao, Int. J. Quantum Chem. 34, 149 (1988). 10.1002/qua.560340819
-
(1988)
Int. J. Quantum Chem.
, vol.34
, pp. 149
-
-
Shepard, R.1
Shavitt, I.2
Pitzer, R.M.3
Comeau, D.C.4
Pepper, M.5
Lischka, H.6
Szalay, P.G.7
Ahlrichs, R.8
Brown, F.B.9
Zhao, J.G.10
-
12
-
-
84855857550
-
-
10.1021/cr200137a
-
P. G. Szalay, T. Müller, G. Gidofalvi, H. Lischka, and R. Shepard, Chem. Rev. 112, 108 (2012). 10.1021/cr200137a
-
(2012)
Chem. Rev.
, vol.112
, pp. 108
-
-
Szalay, P.G.1
Müller, T.2
Gidofalvi, G.3
Lischka, H.4
Shepard, R.5
-
13
-
-
33751324591
-
-
H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, T. Mueller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Boehm, A. Chang, D. C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Hoechtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M. J. M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schueler, M. Seth, E. A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D. R. Yarkony, S. R. Brozell, E. V. Beck, J.-P. Blaudeau, M. Ruckenbauer, B. Sellner, F. Plasser, and J. J. Szymczak, Columbus: An ab initio electronic structure program, release 7.0, see www.univie.ac.at/columbus (2013).
-
(2013)
Columbus: An Ab Initio Electronic Structure Program, Release 7.0
-
-
Lischka, H.1
Shepard, R.2
Shavitt, I.3
Pitzer, R.M.4
Dallos, M.5
Mueller, T.6
Szalay, P.G.7
Brown, F.B.8
Ahlrichs, R.9
Boehm, H.J.10
Chang, A.11
Comeau, D.C.12
Gdanitz, R.13
Dachsel, H.14
Ehrhardt, C.15
Ernzerhof, M.16
Hoechtl, P.17
Irle, S.18
Kedziora, G.19
Kovar, T.20
Parasuk, V.21
Pepper, M.J.M.22
Scharf, P.23
Schiffer, H.24
Schindler, M.25
Schueler, M.26
Seth, M.27
Stahlberg, E.A.28
Zhao, J.-G.29
Yabushita, S.30
Zhang, Z.31
Barbatti, M.32
Matsika, S.33
Schuurmann, M.34
Yarkony, D.R.35
Brozell, S.R.36
Beck, E.V.37
Blaudeau, J.-P.38
Ruckenbauer, M.39
Sellner, B.40
Plasser, F.41
Szymczak, J.J.42
more..
-
14
-
-
84855734876
-
-
10.1002/wcms.25
-
H. Lischka, T. Mueller, P. G. Szalay, I. Shavitt, R. M. Pitzer, and R. Shepard, Wiley Interdiscip. Rev.: Comput. Mol. Sci. 1, 191 (2011). 10.1002/wcms.25
-
(2011)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.1
, pp. 191
-
-
Lischka, H.1
Mueller, T.2
Szalay, P.G.3
Shavitt, I.4
Pitzer, R.M.5
Shepard, R.6
-
15
-
-
34247397080
-
-
10.1088/0953-4075/28/12/003
-
A. B. Trofimov and J. Schirmer, J. Phys. B 28, 2299 (1995). 10.1088/0953-4075/28/12/003
-
(1995)
J. Phys. B
, vol.28
, pp. 2299
-
-
Trofimov, A.B.1
Schirmer, J.2
-
16
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. Dunning Jr., J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, Jr.T.H.1
-
18
-
-
84874236855
-
-
10.1002/anie.201207671
-
F. Plasser, H. Pašalić, M. H. Gerzabek, F. Libisch, R. Reiter, J. Burgdörfer, T. Müller, R. Shepard, and H. Lischka, Angew. Chem., Int. Ed. 52, 2581 (2013). 10.1002/anie.201207671
-
(2013)
Angew. Chem., Int. Ed.
, vol.52
, pp. 2581
-
-
Plasser, F.1
Pašalićh2
Gerzabek, M.H.3
Libisch, F.4
Reiter, R.5
Burgdörfer, J.6
Müller, T.7
Shepard, R.8
Lischka, H.9
-
19
-
-
84891883428
-
-
10.1002/cphc.201300784
-
Z. Cui, H. Lischka, T. Müller, F. Plasser, and M. Kertesz, ChemPhysChem 15, 165 (2014). 10.1002/cphc.201300784
-
(2014)
ChemPhysChem
, vol.15
, pp. 165
-
-
Cui, Z.1
Lischka, H.2
Müller, T.3
Plasser, F.4
Kertesz, M.5
-
21
-
-
84904353840
-
The third-order algebraic diagrammatic construction scheme ADC(3) of thepolarization propagator for closed-shell molecules: Efficient implementation andbenchmarking
-
(submitted)
-
P. H. P. Harbach, M. Wormit, and A. Dreuw, "The third-order algebraic diagrammatic construction scheme ADC(3) of thepolarization propagator for closed-shell molecules: Efficient implementation andbenchmarking,"J. Chem. Phys. (submitted).
-
J. Chem. Phys.
-
-
Harbach, P.H.P.1
Wormit, M.2
Dreuw, A.3
-
22
-
-
33749518851
-
-
10.1016/j.chemphys.2006.07.020
-
J. H. Starcke, M. Wormit, J. Schirmer, and A. Dreuw, Chem. Phys. 329, 39 (2006). 10.1016/j.chemphys.2006.07.020
-
(2006)
Chem. Phys.
, vol.329
, pp. 39
-
-
Starcke, J.H.1
Wormit, M.2
Schirmer, J.3
Dreuw, A.4
-
29
-
-
84904317611
-
-
See supplementary material at http://dx.doi.org/10.1063/1.4885820 E-JCPSA6-141-021426 for additional orbital and density plots of the molecules discussed in the text.
-
-
-
-
30
-
-
0029368062
-
-
10.1021/j100039a012
-
M. Head-Gordon, A. Grana, D. Maurice, and C. White, J. Phys. Chem. 99, 14261 (1995). 10.1021/j100039a012
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14261
-
-
Head-Gordon, M.1
Grana, A.2
Maurice, D.3
White, C.4
-
31
-
-
84879072975
-
-
10.1063/1.4809571
-
X. Liu, Q. Ou, E. Alguire, and J. E. Subotnik, J. Chem. Phys. 138, 221105 (2013). 10.1063/1.4809571
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 221105
-
-
Liu, X.1
Ou, Q.2
Alguire, E.3
Subotnik, J.E.4
-
32
-
-
84898442454
-
-
10.1021/ct4011079
-
F. Plasser, R. Crespo-Otero, M. Pederzoli, J. Pittner, H. Lischka, and M. Barbatti, J. Chem. Theory Comput. 10, 1395 (2014). 10.1021/ct4011079
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 1395
-
-
Plasser, F.1
Crespo-Otero, R.2
Pederzoli, M.3
Pittner, J.4
Lischka, H.5
Barbatti, M.6
-
33
-
-
0000815132
-
-
10.1103/PhysRevA.43.4647
-
J. Schirmer, Phys. Rev. A 43, 4647 (1991). 10.1103/PhysRevA.43.4647
-
(1991)
Phys. Rev. A
, vol.43
, pp. 4647
-
-
Schirmer, J.1
-
36
-
-
34247324719
-
-
10.1016/j.cplett.2007.03.094
-
P. R. Surján, Chem. Phys. Lett. 439, 393 (2007). 10.1016/j.cplett.2007.03.094
-
(2007)
Chem. Phys. Lett.
, vol.439
, pp. 393
-
-
Surján, P.R.1
-
39
-
-
84875199163
-
-
10.1021/jp400372t
-
A. N. Panda, F. Plasser, A. J. A. Aquino, I. Burghardt, and H. Lischka, J. Phys. Chem. A 117, 2181 (2013). 10.1021/jp400372t
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2181
-
-
Panda, A.N.1
Plasser, F.2
Aquino, A.J.A.3
Burghardt, I.4
Lischka, H.5
-
41
-
-
84904278272
-
-
edited by M. Barbatti, A. C. Borin, and S. Ullrich (Springer).
-
F. Plasser, A. Aquino, H. Lischka, and D. Nachtigallova, in Photoinduced Phenomena in Nucleic Acids, edited by M. Barbatti, A. C. Borin, and S. Ullrich (Springer, 2014).
-
(2014)
Photoinduced Phenomena in Nucleic Acids
-
-
Plasser, F.1
Aquino, A.2
Lischka, H.3
Nachtigallova, D.4
-
42
-
-
77951143875
-
-
10.1063/1.3353161
-
A. D. Dutoi, L. S. Cederbaum, M. Wormit, J. H. Starcke, and A. Dreuw, J. Chem. Phys. 132, 144302 (2010). 10.1063/1.3353161
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 144302
-
-
Dutoi, A.D.1
Cederbaum, L.S.2
Wormit, M.3
Starcke, J.H.4
Dreuw, A.5
-
44
-
-
34447642509
-
-
10.1016/j.cplett.2007.06.074
-
I. Mayer, Chem. Phys. Lett. 443, 420 (2007). 10.1016/j.cplett.2007.06.074
-
(2007)
Chem. Phys. Lett.
, vol.443
, pp. 420
-
-
Mayer, I.1
-
47
-
-
34548730201
-
-
10.1021/jo071157d
-
Y. Wang, O. Haze, J. P. Dinnocenzo, S. Farid, R. S. Farid, and I. R. Gould, J. Org. Chem. 72, 6970 (2007). 10.1021/jo071157d
-
(2007)
J. Org. Chem.
, vol.72
, pp. 6970
-
-
Wang, Y.1
Haze, O.2
Dinnocenzo, J.P.3
Farid, S.4
Farid, R.S.5
Gould, I.R.6
-
49
-
-
0030125572
-
-
10.1021/jp952794n
-
E. R. Davidson, J. Phys. Chem. 100, 6161 (1996). 10.1021/jp952794n
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6161
-
-
Davidson, E.R.1
-
50
-
-
0000636141
-
-
10.1002/(SICI)1097-461X(1998)66: 2<157::AID-QUA7>3.0.CO;2-U
-
K. Nakayama, H. Nakano, and K. Hirao, Int. J. Quantum Chem. 66, 157 (1998). 10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U
-
(1998)
Int. J. Quantum Chem.
, vol.66
, pp. 157
-
-
Nakayama, K.1
Nakano, H.2
Hirao, K.3
-
51
-
-
0038743397
-
-
10.1021/ar9800338
-
J.-L. Brédas, J. Cornil, D. Beljonne, D. A. dos Santos, and Z. Shuai, Acc. Chem. Res. 32, 267 (1999). 10.1021/ar9800338
-
(1999)
Acc. Chem. Res.
, vol.32
, pp. 267
-
-
Brédas, J.-L.1
Cornil, J.2
Beljonne, D.3
Dos Santos, D.A.4
Shuai, Z.5
-
53
-
-
0037472107
-
-
10.1016/S0009-2614(03)00422-6
-
M. Head-Gordon, Chem. Phys. Lett. 372, 508 (2003). 10.1016/S0009-2614(03) 00422-6
-
(2003)
Chem. Phys. Lett.
, vol.372
, pp. 508
-
-
Head-Gordon, M.1
-
54
-
-
0035890412
-
-
10.1063/1.1409582
-
C. Adachi, M. A. Baldo, M. E. Thompson, and S. R. Forrest, J. Appl. Phys. 90, 5048 (2001). 10.1063/1.1409582
-
(2001)
J. Appl. Phys.
, vol.90
, pp. 5048
-
-
Adachi, C.1
Baldo, M.A.2
Thompson, M.E.3
Forrest, S.R.4
-
55
-
-
72049083699
-
-
10.1002/adma.200803537
-
C. Ulbricht, B. Beyer, C. Friebe, A. Winter, and U. S. Schubert, Adv. Mater. 21, 4418 (2009). 10.1002/adma.200803537
-
(2009)
Adv. Mater.
, vol.21
, pp. 4418
-
-
Ulbricht, C.1
Beyer, B.2
Friebe, C.3
Winter, A.4
Schubert, U.S.5
-
56
-
-
84863229486
-
-
10.1039/c2jm15049b
-
M. Tavasli, T. N. Moore, Y. Zheng, M. R. Bryce, M. A. Fox, G. C. Griffiths, V. Jankus, H. A. Al-Attar, and A. P. Monkman, J. Mater. Chem. 22, 6419 (2012). 10.1039/c2jm15049b
-
(2012)
J. Mater. Chem.
, vol.22
, pp. 6419
-
-
Tavasli, M.1
Moore, T.N.2
Zheng, Y.3
Bryce, M.R.4
Fox, M.A.5
Griffiths, G.C.6
Jankus, V.7
Al-Attar, H.A.8
Monkman, A.P.9
-
58
-
-
80052723328
-
-
10.1016/j.ccr.2011.01.042
-
H. Yersin, A. F. Rausch, R. Czerwieniec, T. Hofbeck, and T. Fischer, Coord. Chem. Rev. 255, 2622 (2011). 10.1016/j.ccr.2011.01.042
-
(2011)
Coord. Chem. Rev.
, vol.255
, pp. 2622
-
-
Yersin, H.1
Rausch, A.F.2
Czerwieniec, R.3
Hofbeck, T.4
Fischer, T.5
-
59
-
-
33751499426
-
-
10.1021/ic00008a003
-
K. Dedeian, P. I. Djurovich, F. O. Garces, G. Carlson, and R. J. Watts, Inorg. Chem. 30, 1685 (1991). 10.1021/ic00008a003
-
(1991)
Inorg. Chem.
, vol.30
, pp. 1685
-
-
Dedeian, K.1
Djurovich, P.I.2
Garces, F.O.3
Carlson, G.4
Watts, R.J.5
-
60
-
-
83455211596
-
-
10.1021/ct200597h
-
S. Vancoillie, H. Zhao, V. T. Tran, M. F. A. Hendrickx, and K. Pierloot, J. Chem. Theory Comput. 7, 3961 (2011). 10.1021/ct200597h
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3961
-
-
Vancoillie, S.1
Zhao, H.2
Tran, V.T.3
Hendrickx, M.F.A.4
Pierloot, K.5
-
61
-
-
38849133661
-
-
10.1063/1.2831900
-
M. J. G. Peach, P. Benfield, T. Helgaker, and D. J. Tozer, J. Chem. Phys. 128, 044118 (2008). 10.1063/1.2831900
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 044118
-
-
Peach, M.J.G.1
Benfield, P.2
Helgaker, T.3
Tozer, D.J.4
-
62
-
-
84880032691
-
-
10.1021/ct400337e
-
C. A. Guido, P. Cortona, B. Mennucci, and C. Adamo, J. Chem. Theory Comput. 9, 3118 (2013). 10.1021/ct400337e
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3118
-
-
Guido, C.A.1
Cortona, P.2
Mennucci, B.3
Adamo, C.4
-
63
-
-
82255185528
-
-
10.1016/j.chemphys.2011.02.001
-
Y. Li and C. Ullrich, Chem. Phys. 391, 157 (2011). 10.1016/j.chemphys. 2011.02.001
-
(2011)
Chem. Phys.
, vol.391
, pp. 157
-
-
Li, Y.1
Ullrich, C.2
-
64
-
-
84895926693
-
-
10.1080/00268976.2013.856489
-
J. Coe and M. Paterson, Mol. Phys. 112, 733 (2014). 10.1080/00268976. 2013.856489
-
(2014)
Mol. Phys.
, vol.112
, pp. 733
-
-
Coe, J.1
Paterson, M.2
|