-
1
-
-
50249212855
-
-
Koopmans, T. Physica 1934, 1, 104 10.1016/S0031-8914(34)90011-2
-
(1934)
Physica
, vol.1
, pp. 104
-
-
Koopmans, T.1
-
3
-
-
0001132752
-
-
Perdew, J. P.; Parr, R. G.; Levy, M.; Balduz, J. L., Jr. Phys. Rev. Lett. 1982, 49, 1691 10.1103/PhysRevLett.49.1691
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, J.L.4
-
4
-
-
0036470325
-
-
Chong, D. P.; Gritsenko, O. V.; Baerends, E. J. J. Chem. Phys. 2002, 116, 1760-1772 10.1063/1.1430255
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 1760-1772
-
-
Chong, D.P.1
Gritsenko, O.V.2
Baerends, E.J.3
-
5
-
-
36149016819
-
-
Hedin, L. Phys. Rev. 1965, 139, A796 10.1103/PhysRev.139.A796
-
(1965)
Phys. Rev.
, vol.139
, pp. A796
-
-
Hedin, L.1
-
10
-
-
84886996545
-
-
Jain, A.; Ong, S. P.; Hautier, G.; Chen, W.; Richards, W. D.; Dacek, S.; Cholia, S.; Gunter, D.; Skinner, D.; Ceder, G.; Persson, K. A. APL Mater. 2013, 1, 011002 10.1063/1.4812323
-
(2013)
APL Mater.
, vol.1
, pp. 011002
-
-
Jain, A.1
Ong, S.P.2
Hautier, G.3
Chen, W.4
Richards, W.D.5
Dacek, S.6
Cholia, S.7
Gunter, D.8
Skinner, D.9
Ceder, G.10
Persson, K.A.11
-
11
-
-
33746652634
-
-
Fischer, C. C.; Tibbetts, K. J.; Morgan, D.; Ceder, G. Nat. Mater. 2006, 5, 641-646 10.1038/nmat1691
-
(2006)
Nat. Mater.
, vol.5
, pp. 641-646
-
-
Fischer, C.C.1
Tibbetts, K.J.2
Morgan, D.3
Ceder, G.4
-
12
-
-
84875458397
-
-
Curtarolo, S.; Hart, G. L. W.; Nardelli, M. B.; Mingo, N.; Sanvito, S.; Levy, O. Nat. Mater. 2013, 12, 191-201 10.1038/nmat3568
-
(2013)
Nat. Mater.
, vol.12
, pp. 191-201
-
-
Curtarolo, S.1
Hart, G.L.W.2
Nardelli, M.B.3
Mingo, N.4
Sanvito, S.5
Levy, O.6
-
13
-
-
0001388602
-
-
Seidl, A.; Görling, A.; Vogl, P.; Majewski, J. A.; Levy, M. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 53, 3764-3774 10.1103/PhysRevB.53.3764
-
(1996)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.53
, pp. 3764-3774
-
-
Seidl, A.1
Görling, A.2
Vogl, P.3
Majewski, J.A.4
Levy, M.5
-
15
-
-
33845342553
-
-
Ruzsinszky, A.; Perdew, J. P.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E. J. Chem. Phys. 2006, 125, 194112 10.1063/1.2387954
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 194112
-
-
Ruzsinszky, A.1
Perdew, J.P.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
-
16
-
-
33751571076
-
-
Mori-Sánchez, P.; Cohen, A. J.; Yang, W. J. Chem. Phys. 2006, 125, 201102 10.1063/1.2403848
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 201102
-
-
Mori-Sánchez, P.1
Cohen, A.J.2
Yang, W.3
-
17
-
-
0035396931
-
-
Patchkovskii, S.; Autschbach, J.; Ziegler, T. J. Chem. Phys. 2001, 115, 26-42 10.1063/1.1370527
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 26-42
-
-
Patchkovskii, S.1
Autschbach, J.2
Ziegler, T.3
-
18
-
-
46749133907
-
-
Körzdörfer, T.; Kümmel, S.; Mundt, M. J. Chem. Phys. 2008, 129, 014110 10.1063/1.2944272
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 014110
-
-
Körzdörfer, T.1
Kümmel, S.2
Mundt, M.3
-
20
-
-
67649395952
-
-
Körzdörfer, T.; Kümmel, S.; Marom, N.; Kronik, L. Phys. Rev. B: Condens. Matter Mater. Phys. 2009, 79, 201205 10.1103/PhysRevB.79.201205
-
(2009)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.79
, pp. 201205
-
-
Körzdörfer, T.1
Kümmel, S.2
Marom, N.3
Kronik, L.4
-
21
-
-
41749086888
-
-
Körzdörfer, T.; Mundt, M.; Kümmel, S. Phys. Rev. Lett. 2008, 100, 133004 10.1103/PhysRevLett.100.133004
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 133004
-
-
Körzdörfer, T.1
Mundt, M.2
Kümmel, S.3
-
22
-
-
50649114597
-
-
Messud, J.; Dinh, P. M.; Reinhard, P.-G.; Suraud, E. Phys. Rev. Lett. 2008, 101, 096404 10.1103/PhysRevLett.101.096404
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 096404
-
-
Messud, J.1
Dinh, P.M.2
Reinhard, P.-G.3
Suraud, E.4
-
23
-
-
84897509508
-
-
Pederson, M. R.; Ruzsinszky, A.; Perdew, J. P. J. Chem. Phys. 2014, 140, 121103 10.1063/1.4869581
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 121103
-
-
Pederson, M.R.1
Ruzsinszky, A.2
Perdew, J.P.3
-
24
-
-
22244474611
-
-
Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1998, 109, 42-55 10.1063/1.476538
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 42-55
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
25
-
-
0001210423
-
-
de Oliveira, G.; Martin, J. M. L.; de Proft, F.; Geerlings, P. Phys. Rev. A: At., Mol., Opt. Phys. 1999, 60, 1034-1045 10.1103/PhysRevA.60.1034
-
(1999)
Phys. Rev. A: At., Mol., Opt. Phys.
, vol.60
, pp. 1034-1045
-
-
De Oliveira, G.1
Martin, J.M.L.2
De Proft, F.3
Geerlings, P.4
-
26
-
-
0036025403
-
-
Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F.; Nandi, S.; Ellison, G. B. Chem. Rev. 2002, 102, 231-282 10.1021/cr990044u
-
(2002)
Chem. Rev.
, vol.102
, pp. 231-282
-
-
Rienstra-Kiracofe, J.C.1
Tschumper, G.S.2
Schaefer, H.F.3
Nandi, S.4
Ellison, G.B.5
-
27
-
-
67749120522
-
-
Stein, T.; Kronik, L.; Baer, R. J. Am. Chem. Soc. 2009, 131, 2818-2820 10.1021/ja8087482
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2818-2820
-
-
Stein, T.1
Kronik, L.2
Baer, R.3
-
28
-
-
73649101299
-
-
Stein, T.; Kronik, L.; Baer, R. J. Chem. Phys. 2009, 131, 244119 10.1063/1.3269029
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 244119
-
-
Stein, T.1
Kronik, L.2
Baer, R.3
-
29
-
-
73449105349
-
-
Baer, R.; Livshits, E.; Salzner, U. Annu. Rev. Phys. Chem. 2010, 61, 85-109 10.1146/annurev.physchem.012809.103321
-
(2010)
Annu. Rev. Phys. Chem.
, vol.61
, pp. 85-109
-
-
Baer, R.1
Livshits, E.2
Salzner, U.3
-
30
-
-
82555188423
-
-
Körzdörfer, T.; Sears, J. S.; Sutton, C.; Brédas, J.-L. J. Chem. Phys. 2011, 135, 204107 10.1063/1.3663856
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 204107
-
-
Körzdörfer, T.1
Sears, J.S.2
Sutton, C.3
Brédas, J.-L.4
-
31
-
-
80052421200
-
-
Refaely-Abramson, S.; Baer, R.; Kronik, L. Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 84, 075144 10.1103/PhysRevB.84.075144
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.84
, pp. 075144
-
-
Refaely-Abramson, S.1
Baer, R.2
Kronik, L.3
-
32
-
-
79955374885
-
-
Karolewski, A.; Stein, T.; Baer, R.; Kümmel, S. J. Chem. Phys. 2011, 134, 151101 10.1063/1.3581788
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 151101
-
-
Karolewski, A.1
Stein, T.2
Baer, R.3
Kümmel, S.4
-
33
-
-
78650473599
-
-
Stein, T.; Eisenberg, H.; Kronik, L.; Baer, R. Phys. Rev. Lett. 2010, 105, 266802 10.1103/PhysRevLett.105.266802
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 266802
-
-
Stein, T.1
Eisenberg, H.2
Kronik, L.3
Baer, R.4
-
34
-
-
84860717886
-
-
Kronik, L.; Stein, T.; Refaely-Abramson, S.; Baer, R. J. Chem. Theory Comput. 2012, 8, 1515-1531 10.1021/ct2009363
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 1515-1531
-
-
Kronik, L.1
Stein, T.2
Refaely-Abramson, S.3
Baer, R.4
-
36
-
-
80155157793
-
-
Sears, J. S.; Körzdörfer, T.; Zhang, J.-L.; Brédas, C.-R. J. Chem. Phys. 2011, 135, 151103 10.1063/1.3656734
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 151103
-
-
Sears, J.S.1
Körzdörfer, T.2
Zhang, J.-L.3
Brédas, C.-R.4
-
37
-
-
84869047052
-
-
Körzdörfer, T.; Parrish, R. M.; Marom, N.; Sears, J. S.; Sherrill, C. D.; Brédas, J.-L. Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 205110 10.1103/PhysRevB.86.205110
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 205110
-
-
Körzdörfer, T.1
Parrish, R.M.2
Marom, N.3
Sears, J.S.4
Sherrill, C.D.5
Brédas, J.-L.6
-
38
-
-
84884512165
-
-
Refaely-Abramson, S.; Sharifzadeh, S.; Jain, M.; Baer, R.; Neaton, J. B.; Kronik, L. Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 081204 10.1103/PhysRevB.88.081204
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.88
, pp. 081204
-
-
Refaely-Abramson, S.1
Sharifzadeh, S.2
Jain, M.3
Baer, R.4
Neaton, J.B.5
Kronik, L.6
-
40
-
-
84896813632
-
-
Sutton, C.; Körzdörfer, T.; Coropceanu, V.; Brédas, J.-L. J. Phys. Chem. C 2014, 118, 3925-3934 10.1021/jp410461v
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 3925-3934
-
-
Sutton, C.1
Körzdörfer, T.2
Coropceanu, V.3
Brédas, J.-L.4
-
41
-
-
84900540504
-
-
Egger, D. A.; Weissman, S.; Refaely-Abramson, S.; Sharifzadeh, S.; Dauth, M.; Baer, R.; Kümmel, S.; Neaton, J. B.; Zojer, E.; Kronik, L. J. Chem. Theory Comput. 2014, 10, 1934-1952 10.1021/ct400956h
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 1934-1952
-
-
Egger, D.A.1
Weissman, S.2
Refaely-Abramson, S.3
Sharifzadeh, S.4
Dauth, M.5
Baer, R.6
Kümmel, S.7
Neaton, J.B.8
Zojer, E.9
Kronik, L.10
-
42
-
-
84905587716
-
-
Sutton, C.; Körzdörfer, T.; Gray, M. T.; Brunsfeld, M.; Parrish, R. M.; Sherrill, C. D.; Sears, J. S.; Brédas, J.-L. J. Chem. Phys. 2014, 140, 054310 10.1063/1.4863218
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 054310
-
-
Sutton, C.1
Körzdörfer, T.2
Gray, M.T.3
Brunsfeld, M.4
Parrish, R.M.5
Sherrill, C.D.6
Sears, J.S.7
Brédas, J.-L.8
-
43
-
-
84892614817
-
-
Zhang, C.-R.; Coropceanu, V.; Sears, J. S.; Brédas, J.-L. J. Phys. Chem. C 2014, 118, 154-158 10.1021/jp4095326
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 154-158
-
-
Zhang, C.-R.1
Coropceanu, V.2
Sears, J.S.3
Brédas, J.-L.4
-
45
-
-
84867006351
-
-
Körzdörfer, T.; Parrish, R. M.; Sears, J. S.; Sherrill, C. D.; Brédas, J.-L. J. Chem. Phys. 2012, 137, 124305 10.1063/1.4752431
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 124305
-
-
Körzdörfer, T.1
Parrish, R.M.2
Sears, J.S.3
Sherrill, C.D.4
Brédas, J.-L.5
-
46
-
-
84963955587
-
-
Sun, H.; Zhang, S.; Sun, Z. Phys. Chem. Chem. Phys. 2015, 17, 4337-4345 10.1039/C4CP05470A
-
(2015)
Phys. Chem. Chem. Phys.
, vol.17
, pp. 4337-4345
-
-
Sun, H.1
Zhang, S.2
Sun, Z.3
-
48
-
-
84882432931
-
-
Agrawal, P.; Tkatchenko, A.; Kronik, L. J. Chem. Theory Comput. 2013, 9, 3473-3478 10.1021/ct400446t
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3473-3478
-
-
Agrawal, P.1
Tkatchenko, A.2
Kronik, L.3
-
49
-
-
84879337642
-
-
Karolewski, A.; Kronik, L.; Kümmel, S. J. Chem. Phys. 2013, 138, 204115 10.1063/1.4807325
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 204115
-
-
Karolewski, A.1
Kronik, L.2
Kümmel, S.3
-
54
-
-
0010305965
-
-
Thomas, T. D.; Saethre, L. J.; Sorensen, S. L.; Svensson, S. J. Chem. Phys. 1998, 109, 1041-1051 10.1063/1.476646
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 1041-1051
-
-
Thomas, T.D.1
Saethre, L.J.2
Sorensen, S.L.3
Svensson, S.4
-
55
-
-
2342466106
-
-
Malagoli, M.; Coropceanu, V.; da Silva Filho, D. A.; Brédas, J. L. J. Chem. Phys. 2004, 120, 7490-7496 10.1063/1.1687675
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7490-7496
-
-
Malagoli, M.1
Coropceanu, V.2
Da Silva Filho, D.A.3
Brédas, J.L.4
-
57
-
-
84870421422
-
-
Refaely-Abramson, S.; Sharifzadeh, S.; Govind, N.; Autschbach, J.; Neaton, J. B.; Baer, R.; Kronik, L. Phys. Rev. Lett. 2012, 109, 226405 10.1103/PhysRevLett.109.226405
-
(2012)
Phys. Rev. Lett.
, vol.109
, pp. 226405
-
-
Refaely-Abramson, S.1
Sharifzadeh, S.2
Govind, N.3
Autschbach, J.4
Neaton, J.B.5
Baer, R.6
Kronik, L.7
-
58
-
-
84957990970
-
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules for Organic Photovoltaics III: Benchmarking the Accuracy of GW Methods
-
Knight, J.; Wang, X.; Gallandi, L.; Ren, X.; Rinke, P.; Körzdörfer, T.; Marom, N.; Dolgounitcheva, O.; Ortiz, J. V. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules for Organic Photovoltaics III: Benchmarking the Accuracy of GW Methods J. Chem. Theory Comput. 2016, 10.1021/acs.jctc.5b00871
-
(2016)
J. Chem. Theory Comput.
-
-
Knight, J.1
Wang, X.2
Gallandi, L.3
Ren, X.4
Rinke, P.5
Körzdörfer, T.6
Marom, N.7
Dolgounitcheva, O.8
Ortiz, J.V.9
-
59
-
-
21344438863
-
-
Rinke, P.; Qteish, A.; Neugebauer, J.; Freysoldt, C.; Scheffler, M. New J. Phys. 2005, 7, 126 10.1088/1367-2630/7/1/126
-
(2005)
New J. Phys.
, vol.7
, pp. 126
-
-
Rinke, P.1
Qteish, A.2
Neugebauer, J.3
Freysoldt, C.4
Scheffler, M.5
-
60
-
-
34548736472
-
-
Fuchs, F.; Furthmüller, J.; Bechstedt, F.; Shishkin, M.; Kresse, G. Phys. Rev. B: Condens. Matter Mater. Phys. 2007, 76, 115109 10.1103/PhysRevB.76.115109
-
(2007)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.76
, pp. 115109
-
-
Fuchs, F.1
Furthmüller, J.2
Bechstedt, F.3
Shishkin, M.4
Kresse, G.5
-
61
-
-
84855392192
-
-
Marom, N.; Moussa, J. E.; Ren, X.; Tkatchenko, A.; Chelikowsky, J. R. Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 84, 245115 10.1103/PhysRevB.84.245115
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.84
, pp. 245115
-
-
Marom, N.1
Moussa, J.E.2
Ren, X.3
Tkatchenko, A.4
Chelikowsky, J.R.5
-
62
-
-
79961046698
-
-
Faber, C.; Attaccalite, C.; Olevano, V.; Runge, E.; Blase, X. Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 115123 10.1103/PhysRevB.83.115123
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.83
, pp. 115123
-
-
Faber, C.1
Attaccalite, C.2
Olevano, V.3
Runge, E.4
Blase, X.5
-
63
-
-
84871769320
-
-
Marom, N.; Caruso, F.; Ren, X.; Hofmann, O. T.; Körzdörfer, T.; Chelikowsky, J. R.; Rubio, A.; Scheffler, M.; Rinke, P. Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 245127 10.1103/PhysRevB.86.245127
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 245127
-
-
Marom, N.1
Caruso, F.2
Ren, X.3
Hofmann, O.T.4
Körzdörfer, T.5
Chelikowsky, J.R.6
Rubio, A.7
Scheffler, M.8
Rinke, P.9
-
64
-
-
84865103447
-
-
Caruso, F.; Rinke, P.; Ren, X.; Scheffler, M.; Rubio, A. Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 081102 10.1103/PhysRevB.86.081102
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 081102
-
-
Caruso, F.1
Rinke, P.2
Ren, X.3
Scheffler, M.4
Rubio, A.5
-
66
-
-
84885771550
-
-
Atalla, V.; Yoon, M.; Caruso, F.; Rinke, P.; Scheffler, M. Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 165122 10.1103/PhysRevB.88.165122
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.88
, pp. 165122
-
-
Atalla, V.1
Yoon, M.2
Caruso, F.3
Rinke, P.4
Scheffler, M.5
-
68
-
-
84957939141
-
Accurate Ionization Potentials and Electron Affnities of Acceptor Molecules I. CCSD(T) Reference Data
-
Richard, R. M.; Marshall, M. S.; Dolgounitcheva, O.; Ortiz, J. V.; Brédas, J.-L.; Marom, N.; Sherrill, C. D. Accurate Ionization Potentials and Electron Affnities of Acceptor Molecules I. CCSD(T) Reference Data J. Chem. Theory Comput. 2016, 10.1021/acs.jctc.5b00875
-
(2016)
J. Chem. Theory Comput.
-
-
Richard, R.M.1
Marshall, M.S.2
Dolgounitcheva, O.3
Ortiz, J.V.4
Brédas, J.-L.5
Marom, N.6
Sherrill, C.D.7
-
69
-
-
84957960827
-
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
-
Dolgounitcheva, O.; Díaz-Tinoco, M.; Zakrzewski, V. G.; Richard, R. M.; Marom, N.; Sherrill, C. D.; Ortiz, J. V. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods J. Chem. Theory Comput. 2016, 10.1021/acs.jctc.5b00872
-
(2016)
J. Chem. Theory Comput.
-
-
Dolgounitcheva, O.1
Díaz-Tinoco, M.2
Zakrzewski, V.G.3
Richard, R.M.4
Marom, N.5
Sherrill, C.D.6
Ortiz, J.V.7
-
70
-
-
33747615729
-
-
Vydrov, O. A.; Heyd, J.; Krukau, A. V.; Scuseria, G. E. J. Chem. Phys. 2006, 125, 074106 10.1063/1.2244560
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 074106
-
-
Vydrov, O.A.1
Heyd, J.2
Krukau, A.V.3
Scuseria, G.E.4
-
72
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865 10.1103/PhysRevLett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
73
-
-
4944232881
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1997, 78, 1396 10.1103/PhysRevLett.78.1396
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
75
-
-
0037799714
-
-
Heyd, J.; Scuseria, G. E.; Ernzerhof, M. J. Chem. Phys. 2003, 118, 8207-8215 10.1063/1.1564060
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207-8215
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
77
-
-
70149102016
-
-
Blum, V.; Gehrke, R.; Hanke, F.; Havu, P.; Havu, V.; Ren, X.; Reuter, K.; Scheffler, M. Comput. Phys. Commun. 2009, 180, 2175-2196 10.1016/j.cpc.2009.06.022
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2175-2196
-
-
Blum, V.1
Gehrke, R.2
Hanke, F.3
Havu, P.4
Havu, V.5
Ren, X.6
Reuter, K.7
Scheffler, M.8
-
78
-
-
70349236830
-
-
Havu, V.; Blum, V.; Havu, P.; Scheffler, M. J. Comput. Phys. 2009, 228, 8367-8379 10.1016/j.jcp.2009.08.008
-
(2009)
J. Comput. Phys.
, vol.228
, pp. 8367-8379
-
-
Havu, V.1
Blum, V.2
Havu, P.3
Scheffler, M.4
-
79
-
-
84862089442
-
-
Ren, X.; Rinke, P.; Blum, V.; Wieferink, J.; Tkatchenko, A.; Sanfilippo, A.; Reuter, K.; Scheffler, M. New J. Phys. 2012, 14, 053020 10.1088/1367-2630/14/5/053020
-
(2012)
New J. Phys.
, vol.14
, pp. 053020
-
-
Ren, X.1
Rinke, P.2
Blum, V.3
Wieferink, J.4
Tkatchenko, A.5
Sanfilippo, A.6
Reuter, K.7
Scheffler, M.8
-
80
-
-
80855159119
-
-
Turney, J. M.; Simmonett, A. C.; Parrish, R. M.; Hohenstein, E. G.; Evangelista, F. A.; Fermann, J. T.; Mintz, B. J.; Burns, L. A.; Wilke, J. J.; Abrams, M. L.; Russ, N. J.; Leininger, M. L.; Janssen, C. L.; Seidl, E. T.; Allen, W. D.; Schaefer, H. F.; King, R. A.; Valeev, E. F.; Sherrill, C. D.; Crawford, T. D. Wiley Interdisciplinary Reviews: Computational Molecular Science 2012, 2, 556-565 10.1002/wcms.93
-
(2012)
Wiley Interdisciplinary Reviews: Computational Molecular Science
, vol.2
, pp. 556-565
-
-
Turney, J.M.1
Simmonett, A.C.2
Parrish, R.M.3
Hohenstein, E.G.4
Evangelista, F.A.5
Fermann, J.T.6
Mintz, B.J.7
Burns, L.A.8
Wilke, J.J.9
Abrams, M.L.10
Russ, N.J.11
Leininger, M.L.12
Janssen, C.L.13
Seidl, E.T.14
Allen, W.D.15
Schaefer, H.F.16
King, R.A.17
Valeev, E.F.18
Sherrill, C.D.19
Crawford, T.D.20
more..
-
81
-
-
68249106742
-
-
Henderson, T. M.; Izmaylov, A. F.; Scalmani, G.; Scuseria, G. E. J. Chem. Phys. 2009, 131, 044108 10.1063/1.3185673
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 044108
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scalmani, G.3
Scuseria, G.E.4
-
82
-
-
11844277051
-
-
Delaney, K.; García-González, P.; Rubio, A.; Rinke, P.; Godby, R. W. Phys. Rev. Lett. 2004, 93, 249701 10.1103/PhysRevLett.93.249701
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 249701
-
-
Delaney, K.1
García-González, P.2
Rubio, A.3
Rinke, P.4
Godby, R.W.5
-
83
-
-
2542464981
-
-
Milian, B.; Pou-AméRigo, R.; Viruela, R.; Orti, E. Chem. Phys. Lett. 2004, 391, 148-151 10.1016/j.cplett.2004.04.102
-
(2004)
Chem. Phys. Lett.
, vol.391
, pp. 148-151
-
-
Milian, B.1
Pou-Amérigo, R.2
Viruela, R.3
Orti, E.4
-
84
-
-
84940055262
-
-
Ren, X.; Marom, N.; Caruso, F.; Scheffler, M.; Rinke, P. Phys. Rev. B: Condens. Matter Mater. Phys. 2015, 92, 081104 10.1103/PhysRevB.92.081104
-
(2015)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.92
, pp. 081104
-
-
Ren, X.1
Marom, N.2
Caruso, F.3
Scheffler, M.4
Rinke, P.5
-
85
-
-
84871580727
-
-
Stein, T.; Autschbach, J.; Govind, N.; Kronik, L.; Baer, R. J. Phys. Chem. Lett. 2012, 3, 3740-3744 10.1021/jz3015937
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 3740-3744
-
-
Stein, T.1
Autschbach, J.2
Govind, N.3
Kronik, L.4
Baer, R.5
-
87
-
-
41949121296
-
-
Mori-Sánchez, P.; Cohen, A. J.; Yang, W. Phys. Rev. Lett. 2008, 100, 146401 10.1103/PhysRevLett.100.146401
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 146401
-
-
Mori-Sánchez, P.1
Cohen, A.J.2
Yang, W.3
-
88
-
-
84923780599
-
-
Vlček, V.; Eisenberg, H. R.; Steinle-Neumann, G.; Kronik, L.; Baer, R. J. Chem. Phys. 2015, 142, 034107 10.1063/1.4905236
-
(2015)
J. Chem. Phys.
, vol.142
, pp. 034107
-
-
Vlček, V.1
Eisenberg, H.R.2
Steinle-Neumann, G.3
Kronik, L.4
Baer, R.5
-
90
-
-
0037576628
-
-
Öʇüt, S.; Chelikowsky, J. R.; Louie, S. G. Phys. Rev. Lett. 1997, 79, 1770-1773 10.1103/PhysRevLett.79.1770
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 1770-1773
-
-
Öʇüt, S.1
Chelikowsky, J.R.2
Louie, S.G.3
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