-
1
-
-
25544479230
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.34.5390
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
2
-
-
36149016819
-
-
PHRVAO 0031-899X 10.1103/PhysRev.139.A796
-
L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
-
(1965)
Phys. Rev.
, vol.139
, pp. 796
-
-
Hedin, L.1
-
3
-
-
0036057017
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
4
-
-
1542388160
-
-
RPPHAG 0034-4885 10.1088/0034-4885/61/3/002
-
F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
-
(1998)
Rep. Prog. Phys.
, vol.61
, pp. 237
-
-
Aryasetiawan, F.1
Gunnarsson, O.2
-
5
-
-
0012050648
-
-
Academic Press Inc., San Diego, CA
-
W. G. Aulbur, L. Jonsson, and J. W. Wilkins, Solid State Physics: Advances in Research and Applications, Vol. 54 (Academic Press Inc., San Diego, CA, 2000), p. 1.
-
(2000)
Solid State Physics: Advances in Research and Applications
, pp. 1
-
-
Aulbur, W.G.1
Jonsson, L.2
Wilkins, J.W.3
-
6
-
-
81555214670
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.216806
-
M. Jain, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.216806 107, 216806 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 216806
-
-
Jain, M.1
Chelikowsky, J.R.2
Louie, S.G.3
-
7
-
-
67649421385
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.201309
-
Z. Wu, Y. Kanai, and J. C. Grossman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.201309 79, 201309 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 201309
-
-
Wu, Z.1
Kanai, Y.2
Grossman, J.C.3
-
8
-
-
80555154074
-
-
JCPSA6 0021-9606 10.1063/1.3655357
-
A. Biller, I. Tamblyn, J. B. Neaton, and L. Kronik, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3655357 135, 164706 (2011).
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 164706
-
-
Biller, A.1
Tamblyn, I.2
Neaton, J.B.3
Kronik, L.4
-
9
-
-
82655169587
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.201402
-
I. Tamblyn, P. Darancet, S. Y. Quek, S. A. Bonev, and J. B. Neaton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.201402 84, 201402 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 201402
-
-
Tamblyn, I.1
Darancet, P.2
Quek, S.Y.3
Bonev, S.A.4
Neaton, J.B.5
-
10
-
-
33751318708
-
Renormalization of molecular electronic levels at metal-molecule interfaces
-
DOI 10.1103/PhysRevLett.97.216405
-
J. B. Neaton, M. S. Hybertsen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.216405 97, 216405 (2006). (Pubitemid 44808142)
-
(2006)
Physical Review Letters
, vol.97
, Issue.21
, pp. 216405
-
-
Neaton, J.B.1
Hybertsen, M.S.2
Louie, S.G.3
-
11
-
-
77953593444
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.245427
-
J. M. Garcia-Lastra, C. Rostgaard, A. Rubio, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.245427 80, 245427 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 245427
-
-
Garcia-Lastra, J.M.1
Rostgaard, C.2
Rubio, A.3
Thygesen, K.S.4
-
12
-
-
77954804258
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.049901
-
J. M. Garcia-Lastra, C. Rostgaard, A. Rubio, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.049901 81, 049901 (E) (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 049901
-
-
Garcia-Lastra, J.M.1
Rostgaard, C.2
Rubio, A.3
Thygesen, K.S.4
-
13
-
-
79960626262
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.187402
-
J. M. Garcia-Lastra and K. S. Thygesen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.187402 106, 187402 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 187402
-
-
Garcia-Lastra, J.M.1
Thygesen, K.S.2
-
14
-
-
60349123575
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.102.046802
-
K. S. Thygesen and A. Rubio, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.046802 102, 046802 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 046802
-
-
Thygesen, K.S.1
Rubio, A.2
-
15
-
-
68849127886
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.056803
-
C. Freysoldt, P. Rinke, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.056803 103, 056803 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 056803
-
-
Freysoldt, C.1
Rinke, P.2
Scheffler, M.3
-
16
-
-
77953598971
-
-
JCPSA6 0021-9606 10.1063/1.3431755
-
W. Chen, C. Tegenkamp, H. Pfnür, and T. Bredow, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3431755 132, 214706 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 214706
-
-
Chen, W.1
Tegenkamp, C.2
Pfnür, H.3
Bredow, T.4
-
17
-
-
45849101693
-
-
10.1038/nmat2205
-
H. Alves, A. S. Molinari, H. Xie, and A. F. Morpurgo, Nat. Mater. 10.1038/nmat2205 7, 574 (2008).
-
(2008)
Nat. Mater.
, vol.7
, pp. 574
-
-
Alves, H.1
Molinari, A.S.2
Xie, H.3
Morpurgo, A.F.4
-
18
-
-
37649027057
-
Image states in metal clusters
-
DOI 10.1103/PhysRevA.70.063201, 063201
-
P. Rinke, K. Delaney, P. García-González, and R. W. Godby, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.70.063201 70, 063201 (2004). (Pubitemid 40213849)
-
(2004)
Physical Review A - Atomic, Molecular, and Optical Physics
, vol.70
, Issue.6
, pp. 0632011-0632015
-
-
Rinke, P.1
Delaney, K.2
Garcia-Gonzalez, P.3
Godby, R.W.4
-
19
-
-
81455135560
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803
-
M. Jain, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803 107, 216803 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 216803
-
-
Jain, M.1
Chelikowsky, J.R.2
Louie, S.G.3
-
20
-
-
33847007673
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.98.066807
-
S. Y. Quek, J. B. Neaton, M. S. Hybertsen, E. Kaxiras, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.066807 98, 066807 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 066807
-
-
Quek, S.Y.1
Neaton, J.B.2
Hybertsen, M.S.3
Kaxiras, E.4
Louie, S.G.5
-
21
-
-
65649088248
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.155110
-
C. D. Spataru, M. S. Hybertsen, S. G. Louie, and A. J. Millis, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.155110 79, 155110 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155110
-
-
Spataru, C.D.1
Hybertsen, M.S.2
Louie, S.G.3
Millis, A.J.4
-
22
-
-
33846865080
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.075102
-
P. Darancet, A. Ferretti, D. Mayou, and V. Olevano, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.075102 75, 075102 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 075102
-
-
Darancet, P.1
Ferretti, A.2
Mayou, D.3
Olevano, V.4
-
23
-
-
79961174437
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.045426
-
T. Rangel, A. Ferretti, P. E. Trevisanutto, V. Olevano, and G. M. Rignanese, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.045426 84, 045426 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 045426
-
-
Rangel, T.1
Ferretti, A.2
Trevisanutto, P.E.3
Olevano, V.4
Rignanese, G.M.5
-
24
-
-
84862190771
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.235105
-
A. Ferretti, G. Mallia, L. Martin-Samos, G. Bussi, A. Ruini, B. Montanari, and N. M. Harrison, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.235105 85, 235105 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235105
-
-
Ferretti, A.1
Mallia, G.2
Martin-Samos, L.3
Bussi, G.4
Ruini, A.5
Montanari, B.6
Harrison, N.M.7
-
25
-
-
41549155430
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.115333
-
K. S. Thygesen and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.115333 77, 115333 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 115333
-
-
Thygesen, K.S.1
Rubio, A.2
-
26
-
-
79961066644
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115108
-
M. Strange, C. Rostgaard, H. Hakkinen, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115108 83, 115108 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115108
-
-
Strange, M.1
Rostgaard, C.2
Hakkinen, H.3
Thygesen, K.S.4
-
27
-
-
77954729850
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.195318
-
C. S. Li, M. Bescond, and M. Lannoo, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.195318 80, 195318 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 195318
-
-
Li, C.S.1
Bescond, M.2
Lannoo, M.3
-
28
-
-
33748957360
-
-
PHRVAO 0031-899X 10.1103/PhysRev.127.1391
-
G. Baym, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.127.1391 127, 1391 (1962).
-
(1962)
Phys. Rev.
, vol.127
, pp. 1391
-
-
Baym, G.1
-
29
-
-
33646515721
-
-
PHRVAO 0031-899X 10.1103/PhysRev.124.287
-
G. Baym and L. P. Kadanoff, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.124.287 124, 287 (1961).
-
(1961)
Phys. Rev.
, vol.124
, pp. 287
-
-
Baym, G.1
Kadanoff, L.P.2
-
30
-
-
77956698790
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.045108
-
H. Jiang, R. I. Gomez-Abal, P. Rinke, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.045108 82, 045108 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 045108
-
-
Jiang, H.1
Gomez-Abal, R.I.2
Rinke, P.3
Scheffler, M.4
-
31
-
-
33845506010
-
Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN
-
DOI 10.1103/PhysRevB.74.245208
-
A. Qteish, P. Rinke, M. Scheffler, and J. Neugebauer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.245208 74, 245208 (2006). (Pubitemid 44917736)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.24
, pp. 245208
-
-
Qteish, A.1
Rinke, P.2
Scheffler, M.3
Neugebauer, J.4
-
32
-
-
21344438863
-
Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
-
DOI 10.1088/1367-2630/7/1/126, PII S1367263005911257
-
P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/7/1/126 7, 126 (2005). (Pubitemid 40906137)
-
(2005)
New Journal of Physics
, vol.7
-
-
Rinke, P.1
Qteish, A.2
Neugebauer, J.3
Freysoldt, C.4
Scheffler, M.5
-
33
-
-
55649111186
-
-
PSSBBD 0370-1972 10.1002/pssb.200743380
-
P. Rinke, A. Qteish, J. Neugebauer, and M. Scheffler, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200743380 245, 929 (2008).
-
(2008)
Phys. Status Solidi B
, vol.245
, pp. 929
-
-
Rinke, P.1
Qteish, A.2
Neugebauer, J.3
Scheffler, M.4
-
34
-
-
33750157355
-
Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
-
DOI 10.1063/1.2364469
-
P. Rinke, M. Scheffler, A. Qteish, M. Winkelnkemper, D. Bimberg, and J. Neugebauer, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2364469 89, 161919 (2006). (Pubitemid 44601674)
-
(2006)
Applied Physics Letters
, vol.89
, Issue.16
, pp. 161919
-
-
Rinke, P.1
Scheffler, M.2
Qteish, A.3
Winkelnkemper, M.4
Bimberg, D.5
Neugebauer, J.6
-
35
-
-
77957603424
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.105.146401
-
B. C. Shih, Y. Xue, P. H. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.146401 105, 146401 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 146401
-
-
Shih, B.C.1
Xue, Y.2
Zhang, P.H.3
Cohen, M.L.4
Louie, S.G.5
-
37
-
-
0038218135
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.67.115212
-
M. L. Tiago, J. E. Northrup, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.115212 67, 115212 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 115212
-
-
Tiago, M.L.1
Northrup, J.E.2
Louie, S.G.3
-
38
-
-
77956685928
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.045207
-
L. Chiodo, J. M. Garcia-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.045207 82, 045207 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 045207
-
-
Chiodo, L.1
Garcia-Lastra, J.M.2
Iacomino, A.3
Ossicini, S.4
Zhao, J.5
Petek, H.6
Rubio, A.7
-
39
-
-
79960982750
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.081101
-
C. Friedrich, M. C. Muller, and S. Blugel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.081101 83, 081101 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 081101
-
-
Friedrich, C.1
Muller, M.C.2
Blugel, S.3
-
40
-
-
33745737041
-
Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method
-
DOI 10.1103/PhysRevB.74.045104
-
C. Friedrich, A. Schindlmayr, S. Blugel, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.045104 74, 045104 (2006). (Pubitemid 44015527)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.4
, pp. 045104
-
-
Friedrich, C.1
Schindlmayr, A.2
Blugel, S.3
Kotani, T.4
-
41
-
-
84863322812
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.235142
-
L. Y. Isseroff and E. A. Carter, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.235142 85, 235142 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235142
-
-
Isseroff, L.Y.1
Carter, E.A.2
-
42
-
-
80051718526
-
-
PPCPFQ 1463-9076 10.1039/c1cp20829b
-
P. Liao and E. A. Carter, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c1cp20829b 13, 15189 (2011).
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 15189
-
-
Liao, P.1
Carter, E.A.2
-
43
-
-
79961082947
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115103
-
X. Blase, C. Attaccalite, and V. Olevano, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115103 83, 115103 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115103
-
-
Blase, X.1
Attaccalite, C.2
Olevano, V.3
-
44
-
-
0035120981
-
High accuracy many-body calculational approaches for excitations in molecules
-
DOI 10.1103/PhysRevLett.86.472
-
J. C. Grossman, M. Rohlfing, L. Mitas, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.472 86, 472 (2001). (Pubitemid 32136485)
-
(2001)
Physical Review Letters
, vol.86
, Issue.3
, pp. 472-475
-
-
Grossman, J.C.1
Rohlfing, M.2
Mitas, L.3
Louie, S.G.4
Cohen, M.L.5
-
45
-
-
25644438484
-
First-principles GW-BSE excitations in organic molecules
-
DOI 10.1016/j.ssc.2005.08.012, PII S003810980500712X
-
M. L. Tiago and J. R. Chelikowsky, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2005.08.012 136, 333 (2005). (Pubitemid 41382572)
-
(2005)
Solid State Communications
, vol.136
, Issue.6
, pp. 333-337
-
-
Tiago, M.L.1
Chelikowsky, J.R.2
-
46
-
-
77954992522
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115104
-
P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115104 81, 115104 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115104
-
-
Umari, P.1
Stenuit, G.2
Baroni, S.3
-
47
-
-
77954754222
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.241405
-
Y. C. Ma, M. Rohlfing, and C. Molteni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.241405 80, 241405 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 241405
-
-
Ma, Y.C.1
Rohlfing, M.2
Molteni, C.3
-
49
-
-
79953047153
-
-
PSSBBD 0370-1972 10.1002/pssb.201046169
-
P. Umari, C. Castellarin-Cudia, V. Feyer, G. Di Santo, P. Borghetti, L. Sangaletti, G. Stenuit, and A. Goldoni, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.201046169 248, 960 (2011).
-
(2011)
Phys. Status Solidi B
, vol.248
, pp. 960
-
-
Umari, P.1
Castellarin-Cudia, C.2
Feyer, V.3
Di Santo, G.4
Borghetti, P.5
Sangaletti, L.6
Stenuit, G.7
Goldoni, A.8
-
50
-
-
80052421522
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.075103
-
X. F. Qian, P. Umari, and N. Marzari, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.075103 84, 075103 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 075103
-
-
Qian, X.F.1
Umari, P.2
Marzari, N.3
-
51
-
-
79961046698
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115123
-
C. Faber, C. Attaccalite, V. Olevano, E. Runge, and X. Blase, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115123 83, 115123 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115123
-
-
Faber, C.1
Attaccalite, C.2
Olevano, V.3
Runge, E.4
Blase, X.5
-
52
-
-
33646855619
-
Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory
-
DOI 10.1103/PhysRevB.73.195208
-
N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.195208 73, 195208 (2006). (Pubitemid 43782086)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.19
, pp. 195208
-
-
Dori, N.1
Menon, M.2
Kilian, L.3
Sokolowski, M.4
Kronik, L.5
Umbach, E.6
-
53
-
-
72449132992
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.155443
-
L. G. G. V. Dias da Silva, M. L. Tiago, S. E. Ulloa, F. A. Reboredo, and E. Dagotto, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.155443 80, 155443 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 155443
-
-
Dias Da Silva, L.G.G.V.1
Tiago, M.L.2
Ulloa, S.E.3
Reboredo, F.A.4
Dagotto, E.5
-
54
-
-
50849113774
-
-
JCPSA6 0021-9606 10.1063/1.2973627
-
M. L. Tiago, P. R. C. Kent, R. Q. Hood, and F. A. Reboredo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2973627 129, 084311 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 084311
-
-
Tiago, M.L.1
Kent, P.R.C.2
Hood, R.Q.3
Reboredo, F.A.4
-
55
-
-
69549086153
-
-
JCPSA6 0021-9606 10.1063/1.3204938
-
M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3204938 131, 084102 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084102
-
-
Palummo, M.1
Hogan, C.2
Sottile, F.3
Bagala, P.4
Rubio, A.5
-
56
-
-
77956330698
-
-
PPCPFQ 1463-9076 10.1039/c004332j
-
G. Stenuit, C. Castellarin-Cudia, O. Plekan, V. Feyer, K. C. Prince, A. Goldoni, and P. Umari, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c004332j 12, 10812 (2010).
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 10812
-
-
Stenuit, G.1
Castellarin-Cudia, C.2
Plekan, O.3
Feyer, V.4
Prince, K.C.5
Goldoni, A.6
Umari, P.7
-
58
-
-
43049103439
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.161306
-
N. Sai, M. L. Tiago, J. R. Chelikowsky, and F. A. Reboredo, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.161306 77, 161306 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 161306
-
-
Sai, N.1
Tiago, M.L.2
Chelikowsky, J.R.3
Reboredo, F.A.4
-
59
-
-
84855392192
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.245115
-
N. Marom, J. E. Moussa, X. G. Ren, A. Tkatchenko, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.245115 84, 245115 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 245115
-
-
Marom, N.1
Moussa, J.E.2
Ren, X.G.3
Tkatchenko, A.4
Chelikowsky, J.R.5
-
60
-
-
84862089442
-
-
NJOPFM 1367-2630 10.1088/1367-2630/14/5/053020
-
X. Ren, A. Sanfilipo, P. Rinke, J. Wieferink, A. Tkatchenko, K. Reuter, V. Blum, and M. Scheffler, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/14/5/ 053020 14, 053020 (2012).
-
(2012)
New J. Phys.
, vol.14
, pp. 053020
-
-
Ren, X.1
Sanfilipo, A.2
Rinke, P.3
Wieferink, J.4
Tkatchenko, A.5
Reuter, K.6
Blum, V.7
Scheffler, M.8
-
61
-
-
82655172792
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.195143
-
N. Marom, X. G. Ren, J. E. Moussa, J. R. Chelikowsky, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.195143 84, 195143 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195143
-
-
Marom, N.1
Ren, X.G.2
Moussa, J.E.3
Chelikowsky, J.R.4
Kronik, L.5
-
62
-
-
84865103447
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.081102
-
F. Caruso, P. Rinke, X. Ren, M. Scheffler, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.081102 86, 081102 (R) (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 081102
-
-
Caruso, F.1
Rinke, P.2
Ren, X.3
Scheffler, M.4
Rubio, A.5
-
63
-
-
41749087573
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.155107
-
F. Fuchs and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.155107 77, 155107 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155107
-
-
Fuchs, F.1
Bechstedt, F.2
-
64
-
-
34548736472
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.115109
-
F. Fuchs, J. Furthmuller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.115109 76, 115109 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 115109
-
-
Fuchs, F.1
Furthmuller, J.2
Bechstedt, F.3
Shishkin, M.4
Kresse, G.5
-
65
-
-
67650065437
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.235114
-
C. Rodl, F. Fuchs, J. Furthmuller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.235114 79, 235114 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235114
-
-
Rodl, C.1
Fuchs, F.2
Furthmuller, J.3
Bechstedt, F.4
-
66
-
-
84864627603
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.041110
-
T. Körzdörfer and N. Marom, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.041110 86, 041110 (R) (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 041110
-
-
Körzdörfer, T.1
Marom, N.2
-
67
-
-
26144450583
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
68
-
-
33947223999
-
Self-interaction in Green's-function theory of the hydrogen atom
-
DOI 10.1103/PhysRevA.75.032505
-
W. Nelson, P. Bokes, P. Rinke, and R. W. Godby, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.75.032505 75, 032505 (2007). (Pubitemid 46434361)
-
(2007)
Physical Review A - Atomic, Molecular, and Optical Physics
, vol.75
, Issue.3
, pp. 032505
-
-
Nelson, W.1
Bokes, P.2
Rinke, P.3
Godby, R.W.4
-
69
-
-
66349111635
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.79.052513
-
J. J. Fernandez, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.79.052513 79, 052513 (2009).
-
(2009)
Phys. Rev. A
, vol.79
, pp. 052513
-
-
Fernandez, J.J.1
-
70
-
-
84859806911
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.85.042509
-
R. Sakuma and F. Aryasetiawan, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.85.042509 85, 042509 (2012).
-
(2012)
Phys. Rev. A
, vol.85
, pp. 042509
-
-
Sakuma, R.1
Aryasetiawan, F.2
-
71
-
-
80555154301
-
-
APPLAB 0003-6951 10.1063/1.3655352
-
X. Blase and C. Attaccalite, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3655352 99, 171909 (2011).
-
(2011)
Appl. Phys. Lett.
, vol.99
, pp. 171909
-
-
Blase, X.1
Attaccalite, C.2
-
74
-
-
33744818476
-
Quasiparticle self-consistent GW theory
-
DOI 10.1103/PhysRevLett.96.226402
-
M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
-
(2006)
Physical Review Letters
, vol.96
, Issue.22
, pp. 226402
-
-
Van Schilfgaarde, M.1
Kotani, T.2
Faleev, S.3
-
75
-
-
77956325731
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.245120
-
A. Svane, N. E. Christensen, M. Cardona, A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 245120 81, 245120 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 245120
-
-
Svane, A.1
Christensen, N.E.2
Cardona, M.3
Chantis, A.N.4
Van Schilfgaarde, M.5
Kotani, T.6
-
76
-
-
77957587748
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.115102
-
A. Svane, N. E. Christensen, I. Gorczyca, M. van Schilfgaarde, A. N. Chantis, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.115102 82, 115102 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 115102
-
-
Svane, A.1
Christensen, N.E.2
Gorczyca, I.3
Van Schilfgaarde, M.4
Chantis, A.N.5
Kotani, T.6
-
77
-
-
82755179967
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.205415
-
S.-H. Ke, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.205415 84, 205415 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 205415
-
-
Ke, S.-H.1
-
78
-
-
0001658969
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.54.8411
-
U. von Barth and B. Holm, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.8411 54, 8411 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 8411
-
-
Von Barth, U.1
Holm, B.2
-
80
-
-
33750370379
-
Fully self-consistent GW calculations for atoms and molecules
-
DOI 10.1209/epl/i2006-10266-6
-
A. Stan, N. E. Dahlen, and R. van Leeuwen, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2006-10266-6 76, 298 (2006). (Pubitemid 44620859)
-
(2006)
Europhysics Letters
, vol.76
, Issue.2
, pp. 298-304
-
-
Stan, A.1
Dahlen, N.E.2
Van Leeuwen, R.3
-
81
-
-
11844277051
-
Comment on "band-gap problem in semiconductors revisited: Effects of core states and many-body self-consistency"
-
DOI 10.1103/PhysRevLett.93.249701, 249701
-
K. Delaney, P. Garcia-Gonzalez, A. Rubio, P. Rinke, and R. W. Godby, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.249701 93, 249701 (2004). (Pubitemid 40086722)
-
(2004)
Physical Review Letters
, vol.93
, Issue.24
, pp. 2497011-2497021
-
-
Delaney, K.1
Garcia-Gonzalez, P.2
Rubio, A.3
Rinke, P.4
Godby, R.W.5
Ku, W.6
Eguiluz, A.G.7
-
82
-
-
0000935939
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.57.2108
-
B. Holm and U. von Barth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.2108 57, 2108 (1998).
-
(1998)
Phys. Rev. B
, vol.57
, pp. 2108
-
-
Holm, B.1
Von Barth, U.2
-
83
-
-
0000192363
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.81.1662
-
W.-D. Schöne and A. G. Eguiluz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1662 81, 1662 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 1662
-
-
Schöne, W.-D.1
Eguiluz, A.G.2
-
84
-
-
77954873662
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.085102
-
K. Kaasbjerg and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.085102 81, 085102 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085102
-
-
Kaasbjerg, K.1
Thygesen, K.S.2
-
85
-
-
84856444121
-
-
NJOPFM 1367-2630 10.1088/1367-2630/14/1/013056
-
G. Lani, P. Romaniello, and L. Reining, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/14/1/013056 14, 013056 (2012).
-
(2012)
New J. Phys.
, vol.14
, pp. 013056
-
-
Lani, G.1
Romaniello, P.2
Reining, L.3
-
87
-
-
35148854541
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.155106
-
A. J. Morris, M. Stankovski, K. T. Delaney, P. Rinke, P. Garcia-Gonzalez, and R. W. Godby, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.155106 76, 155106 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 155106
-
-
Morris, A.J.1
Stankovski, M.2
Delaney, K.T.3
Rinke, P.4
Garcia-Gonzalez, P.5
Godby, R.W.6
-
88
-
-
82655179110
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.195114
-
H. Ness, L. K. Dash, M. Stankovski, and R. W. Godby, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.195114 84, 195114 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195114
-
-
Ness, H.1
Dash, L.K.2
Stankovski, M.3
Godby, R.W.4
-
89
-
-
84855934669
-
-
JCPSA6 0021-9606 10.1063/1.3675640
-
Y.-W. Chang and B.-Y. Jin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3675640 136, 024110 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 024110
-
-
Chang, Y.-W.1
Jin, B.-Y.2
-
90
-
-
84855444565
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.245134
-
H. Maebashi and Y. Takada, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.245134 84, 245134 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 245134
-
-
Maebashi, H.1
Takada, Y.2
-
92
-
-
79958159874
-
-
10.1021/jp2017192
-
K. Pelzer, L. Greenman, G. Gidofalvi, and D. A. Mazziotti, J. Chem. Phys. A 10.1021/jp2017192 115, 5632 (2011).
-
(2011)
J. Chem. Phys. A
, vol.115
, pp. 5632
-
-
Pelzer, K.1
Greenman, L.2
Gidofalvi, G.3
Mazziotti, D.A.4
-
93
-
-
0031315120
-
An experimental and theoretical study of the valence shell photoelectron spectrum of the benzene molecule
-
DOI 10.1016/S0301-0104(97)00244-9
-
P. Baltzer, L. Karlsson, B. Wannberg, G. Öhrwall, D. M. P. Holland, M. A. MacDonald, M. A. Hayes, and W. von Niessen, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(97)00244-9 224, 95 (1997). (Pubitemid 128016074)
-
(1997)
Chemical Physics
, vol.224
, Issue.1
, pp. 95-119
-
-
Baltzer, P.1
Karlsson, L.2
Wannberg, B.3
Ohrwall, G.4
Holland, D.M.P.5
MacDonald, M.A.6
Hayes, M.A.7
Von Niessen, W.8
-
94
-
-
84957149268
-
-
PHSTBO 0031-8949 10.1088/0031-8949/14/5/007
-
L. Karlsson, L. Mattsson, R. Jadrny, T. Bergmark, and K. Siegbahn, Phys. Scr. PHSTBO 0031-8949 10.1088/0031-8949/14/5/007 14, 230 (1976).
-
(1976)
Phys. Scr.
, vol.14
, pp. 230
-
-
Karlsson, L.1
Mattsson, L.2
Jadrny, R.3
Bergmark, T.4
Siegbahn, K.5
-
95
-
-
0001763450
-
-
CMPHC2 0301-0104 10.1016/0301-0104(78)87086-4
-
J. A. Sell and A. Kuppermann, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(78)87086-4 33, 367 (1978).
-
(1978)
Chem. Phys.
, vol.33
, pp. 367
-
-
Sell, J.A.1
Kuppermann, A.2
-
96
-
-
79953777380
-
-
JPCAFH 1089-5639 10.1021/jp1098574
-
S. Y. Liu, K. Alnama, J. Matsumoto, K. Nishizawa, H. Kohguchi, Y. P. Lee, and T. Suzuki, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp1098574 115, 2953 (2011).
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 2953
-
-
Liu, S.Y.1
Alnama, K.2
Matsumoto, J.3
Nishizawa, K.4
Kohguchi, H.5
Lee, Y.P.6
Suzuki, T.7
-
98
-
-
71849117891
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2009.06.031
-
C. G. Ning, K. Liu, Z. H. Luo, S. F. Zhang, and J. K. Deng, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2009.06.031 476, 157 (2009).
-
(2009)
Chem. Phys. Lett.
, vol.476
, pp. 157
-
-
Ning, C.G.1
Liu, K.2
Luo, Z.H.3
Zhang, S.F.4
Deng, J.K.5
-
99
-
-
36549101373
-
-
JCPSA6 0021-9606 10.1063/1.452391
-
T. A. Carlson, P. Gerard, M. O. Krause, F. A. Grimm, and B. P. Pullen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452391 86, 6918 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 6918
-
-
Carlson, T.A.1
Gerard, P.2
Krause, M.O.3
Grimm, F.A.4
Pullen, B.P.5
-
100
-
-
0034248556
-
-
JPCAFH 1089-5639 10.1021/jp000973l
-
N. Kishimoto and K. Ohno, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp000973l 104, 6940 (2000).
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 6940
-
-
Kishimoto, N.1
Ohno, K.2
-
103
-
-
81555211996
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2011.09.025
-
D. M. P. Holland, A. W. Potts, L. Karlsson, M. Stener, and P. Decleva, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2011.09.025 390, 25 (2011).
-
(2011)
Chem. Phys.
, vol.390
, pp. 25
-
-
Holland, D.M.P.1
Potts, A.W.2
Karlsson, L.3
Stener, M.4
Decleva, P.5
-
104
-
-
0043165031
-
-
JPAMA4 0022-3700 10.1088/0953-4075/36/14/314
-
A. W. Potts, D. M. P. Holland, A. B. Trofimov, J. Schirmer, L. Karlsson, and K. Siegbahn, J. Phys. B JPAMA4 0022-3700 10.1088/0953-4075/36/14/314 36, 3129 (2003).
-
(2003)
J. Phys. B
, vol.36
, pp. 3129
-
-
Potts, A.W.1
Holland, D.M.P.2
Trofimov, A.B.3
Schirmer, J.4
Karlsson, L.5
Siegbahn, K.6
-
105
-
-
0001506449
-
-
JCPSA6 0021-9606 10.1063/1.1671718
-
M. J. S. Dewar and S. D. Worley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1671718 51, 263 (1969).
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 263
-
-
Dewar, M.J.S.1
Worley, S.D.2
-
106
-
-
0002609459
-
-
CMPHC2 0301-0104 10.1016/0301-0104(81)80305-9
-
I. Fuss, I. E. McCarthy, A. Minchinton, E. Weigold, and F. P. Larkins, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(81)80305-9 63, 19 (1981).
-
(1981)
Chem. Phys.
, vol.63
, pp. 19
-
-
Fuss, I.1
McCarthy, I.E.2
Minchinton, A.3
Weigold, E.4
Larkins, F.P.5
-
107
-
-
0000608468
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.65.3257
-
S. Masuda, M. Aoyama, K. Ohno, and Y. Harada, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.65.3257 65, 3257 (1990).
-
(1990)
Phys. Rev. Lett.
, vol.65
, pp. 3257
-
-
Masuda, S.1
Aoyama, M.2
Ohno, K.3
Harada, Y.4
-
108
-
-
84855929309
-
-
JCPSA6 0021-9606 10.1063/1.3675167
-
J. D. Builth-Williams, S. M. Bellm, D. B. Jones, H. Chaluvadi, D. H. Madison, C. G. Ning, B. Lohmann, and M. J. Brunger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3675167 136, 024304 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 024304
-
-
Builth-Williams, J.D.1
Bellm, S.M.2
Jones, D.B.3
Chaluvadi, H.4
Madison, D.H.5
Ning, C.G.6
Lohmann, B.7
Brunger, M.J.8
-
109
-
-
4043106615
-
-
CMPHC2 0301-0104 10.1016/0301-0104(89)80104-1
-
M. H. Palmer and I. C. Walker, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(89)80104-1 133, 113 (1989).
-
(1989)
Chem. Phys.
, vol.133
, pp. 113
-
-
Palmer, M.H.1
Walker, I.C.2
-
110
-
-
10544240521
-
-
CMPHC2 0301-0104 10.1016/0301-0104(91)87143-J
-
M. H. Palmer and I. C. Walker, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(91)87143-J 157, 187 (1991).
-
(1991)
Chem. Phys.
, vol.157
, pp. 187
-
-
Palmer, M.H.1
Walker, I.C.2
-
111
-
-
0002223237
-
-
CMPHC2 0301-0104 10.1016/0301-0104(90)85017-Q
-
M. H. Palmer, I. C. Walker, M. F. Guest, and A. Hopkirk, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(90)85017-Q 147, 19 (1990).
-
(1990)
Chem. Phys.
, vol.147
, pp. 19
-
-
Palmer, M.H.1
Walker, I.C.2
Guest, M.F.3
Hopkirk, A.4
-
112
-
-
0000287102
-
-
CMPHC2 0301-0104 10.1016/0301-0104(91)90017-N
-
I. C. Walker and M. H. Palmer, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(91)90017-N 153, 169 (1991).
-
(1991)
Chem. Phys.
, vol.153
, pp. 169
-
-
Walker, I.C.1
Palmer, M.H.2
-
113
-
-
45149141059
-
-
CMPHC2 0301-0104 10.1016/0301-0104(90)87070-R
-
I. C. Walker, M. H. Palmer, and A. Hopkirk, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(90)87070-R 141, 365 (1990).
-
(1990)
Chem. Phys.
, vol.141
, pp. 365
-
-
Walker, I.C.1
Palmer, M.H.2
Hopkirk, A.3
-
114
-
-
0035932166
-
Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method
-
DOI 10.1063/1.1351880
-
J. Wan, M. Hada, M. Ehara, and H. Nakatsuji, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1351880 114, 5117 (2001). (Pubitemid 32384465)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.12
, pp. 5117-5123
-
-
Wan, J.1
Hada, M.2
Ehara, M.3
Nakatsuji, H.4
-
115
-
-
0000897299
-
-
JCPSA6 0021-9606 10.1063/1.472138
-
J. V. Ortiz and V. G. Zakrzewski, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472138 105, 2762 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 2762
-
-
Ortiz, J.V.1
Zakrzewski, V.G.2
-
117
-
-
0041382246
-
-
JCPSA6 0021-9606 10.1063/1.1589731
-
M. S. Deleuze, L. Claes, E. S. Kryachko, and J. P. Francois, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1589731 119, 3106 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3106
-
-
Deleuze, M.S.1
Claes, L.2
Kryachko, E.S.3
Francois, J.P.4
-
118
-
-
0035474226
-
Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene
-
DOI 10.1063/1.1386414
-
M. S. Deleuze, A. B. Trofimov, and L. S. Cederbaum, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1386414 115, 5859 (2001). (Pubitemid 33012029)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.13
, pp. 5859-5882
-
-
Deleuze, M.S.1
Trofimov, A.B.2
Cederbaum, L.S.3
-
119
-
-
0542370498
-
-
JCPSA6 0021-9606 10.1063/1.453297
-
O. Kitao and H. Nakatsuji, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453297 87, 1169 (1987).
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 1169
-
-
Kitao, O.1
Nakatsuji, H.2
-
120
-
-
0002020636
-
-
CHPLBC 0009-2614 10.1016/0009-2614(95)00303-L
-
H. G. Weikert and L. S. Cederbaum, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00303-L 237, 1 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.237
, pp. 1
-
-
Weikert, H.G.1
Cederbaum, L.S.2
-
121
-
-
0000444477
-
-
JCPSA6 0021-9606 10.1063/1.436733
-
L. S. Cederbaum, W. Domcke, J. Schirmer, W. von Niessen, G. H. F. Diercksen, and W. P. Kraemer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.436733 69, 1591 (1978).
-
(1978)
J. Chem. Phys.
, vol.69
, pp. 1591
-
-
Cederbaum, L.S.1
Domcke, W.2
Schirmer, J.3
Von Niessen, W.4
Diercksen, G.H.F.5
Kraemer, W.P.6
-
123
-
-
70149102016
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022
-
V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022 180, 2175 (2009).
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2175
-
-
Blum, V.1
Gehrke, R.2
Hanke, F.3
Havu, P.4
Havu, V.5
Ren, X.6
Reuter, K.7
Scheffler, M.8
-
124
-
-
70349236830
-
-
JCTPAH 0021-9991 10.1016/j.jcp.2009.08.008
-
V. Havu, V. Blum, P. Havu, and M. Scheffler, J. Comput. Phys. JCTPAH 0021-9991 10.1016/j.jcp.2009.08.008 228, 8367 (2009).
-
(2009)
J. Comput. Phys.
, vol.228
, pp. 8367
-
-
Havu, V.1
Blum, V.2
Havu, P.3
Scheffler, M.4
-
127
-
-
84871785418
-
-
0 calculations based on the local density approximation (LDA) are very similar to those based on PBE. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.86.245127 for a comparison between the two starting points for benzene and the azabenzenes.
-
-
-
-
128
-
-
0001475454
-
-
JCPSA6 0021-9606 10.1063/1.478522
-
C. Adamo and V. Barone, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478522 110, 6158 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
129
-
-
67649395952
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.201205
-
T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.201205 79, 201205 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 201205
-
-
Körzdörfer, T.1
Kümmel, S.2
Marom, N.3
Kronik, L.4
-
130
-
-
77957728653
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.129903
-
T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.129903 82, 129903 (E) (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 129903
-
-
Körzdörfer, T.1
Kümmel, S.2
Marom, N.3
Kronik, L.4
-
131
-
-
79952519547
-
-
JCPSA6 0021-9606 10.1063/1.3556979
-
T. Körzdörfer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3556979 134, 094111 (2011).
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 094111
-
-
Körzdörfer, T.1
-
132
-
-
78149271321
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.155206
-
T. Körzdörfer and S. Kümmel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.155206 82, 155206 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 155206
-
-
Körzdörfer, T.1
Kümmel, S.2
-
133
-
-
0001360121
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.50.11355
-
J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50.11355 50, 11355 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 11355
-
-
Chelikowsky, J.R.1
Troullier, N.2
Wu, K.3
Saad, Y.4
-
134
-
-
33646134373
-
PARSEC - The pseudopotential algorithm for real-space electronic structure calculations: Recent advances and novel applications to nano-structures
-
DOI 10.1002/pssb.200541463
-
L. Kronik, A. Makmal, M. L. Tiago, M. M. G. Alemany, M. Jain, X. Y. Huang, Y. Saad, and J. R. Chelikowsky, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200541463 243, 1063 (2006). (Pubitemid 43633041)
-
(2006)
Physica Status Solidi (B) Basic Research
, vol.243
, Issue.5
, pp. 1063-1079
-
-
Kronik, L.1
Makmal, A.2
Tiago, M.L.3
Alemany, M.M.G.4
Jain, M.5
Huang, X.6
Saad, Y.7
Chelikowsky, J.R.8
-
135
-
-
33645426115
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
136
-
-
0036470325
-
Interpretation of the Kohn-Sham orbital energies as approximate vertical ionization potentials
-
DOI 10.1063/1.1430255
-
Although KS eigenvalues do not have any strict physical meaning, a close relationship between exact KS eigenvalues and QP energies exists. KS eigenvalues are well-defined approximations to the relaxed ionization energies to zeroth order in the adiabatic coupling constant, see D. P. Chong, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1430255 116, 1760 (2002); (Pubitemid 34159892)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.5
, pp. 1760-1772
-
-
Chong, D.P.1
Gritsenko, O.V.2
Baerends, E.J.3
-
137
-
-
0042709254
-
-
0021-9606 10.1063/1.1582839
-
O. V. Gritsenko, B. Braïda, and E. J. Baerends, J. Chem. Phys. 0021-9606 10.1063/1.1582839 119, 1937 (2003). This relation justifies the comparison of KS eigenvalues to PES.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 1937
-
-
Gritsenko, O.V.1
Braïda, B.2
Baerends, E.J.3
-
138
-
-
84871786528
-
-
The GKS shift provided in Eqs. and vanishes for the HOMO. Consequently, the predicted PBEh and HF spectra differ from the actual spectra by a constant shift. Note, however, that here we are interested in predicting the relative and not the absolute eigenvalue spectra.
-
The GKS shift provided in Eqs. and vanishes for the HOMO. Consequently, the predicted PBEh and HF spectra differ from the actual spectra by a constant shift. Note, however, that here we are interested in predicting the relative and not the absolute eigenvalue spectra.
-
-
-
-
139
-
-
79954431134
-
-
10.1007/s00216-011-4785-x
-
M. Vogel, F. Schmitt, J. Sauther, B. Baumann, A. Altenhof, S. Lach, and C. Ziegler, Anal. Bioanal. Chem. 10.1007/s00216-011-4785-x 400, 673 (2011).
-
(2011)
Anal. Bioanal. Chem.
, vol.400
, pp. 673
-
-
Vogel, M.1
Schmitt, F.2
Sauther, J.3
Baumann, B.4
Altenhof, A.5
Lach, S.6
Ziegler, C.7
-
141
-
-
84858682572
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.125307
-
S. Sharifzadeh, A. Biller, L. Kronik, and J. B. Neaton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.125307 85, 125307 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 125307
-
-
Sharifzadeh, S.1
Biller, A.2
Kronik, L.3
Neaton, J.B.4
-
142
-
-
37249050372
-
Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
-
DOI 10.1103/PhysRevLett.99.246403
-
M. Shishkin, M. Marsman, and G. Kresse, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.246403 99, 246403 (2007). (Pubitemid 350276636)
-
(2007)
Physical Review Letters
, vol.99
, Issue.24
, pp. 246403
-
-
Shishkin, M.1
Marsman, M.2
Kresse, G.3
-
143
-
-
27144531276
-
Many-body perturbation theory using the density-functional concept: Beyond the GW approximation
-
DOI 10.1103/PhysRevLett.94.186402, 186402
-
F. Bruneval, F. Sottile, V. Olevano, R. Del Sole, and L. Reining, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.186402 94, 186402 (2005). (Pubitemid 41493064)
-
(2005)
Physical Review Letters
, vol.94
, Issue.18
, pp. 1-4
-
-
Bruneval, F.1
Sottile, F.2
Olevano, V.3
Del Sole, R.4
Reining, L.5
-
144
-
-
33745737939
-
Effect of self-consistency on quasiparticles in solids
-
DOI 10.1103/PhysRevB.74.045102
-
F. Bruneval, N. Vast, and L. Reining, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.045102 74, 045102 (2006). (Pubitemid 44015533)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.4
, pp. 045102
-
-
Bruneval, F.1
Vast, N.2
Reining, L.3
-
148
-
-
84870412622
-
-
EPJBFY 1434-6028 10.1140/epjb/e2012-30206-0
-
S. Sharifzadeh, I. Tamblyn, P. Doak, P. T. Darancet, and J. B. Neaton, Eur. Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2012-30206-0 85, 323 (2012).
-
(2012)
Eur. Phys. J. B
, vol.85
, pp. 323
-
-
Sharifzadeh, S.1
Tamblyn, I.2
Doak, P.3
Darancet, P.T.4
Neaton, J.B.5
-
149
-
-
80054888071
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.186404
-
G. Samsonidze, M. Jain, J. Deslippe, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.186404 107, 186404 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 186404
-
-
Samsonidze, G.1
Jain, M.2
Deslippe, J.3
Cohen, M.L.4
Louie, S.G.5
|