-
1
-
-
0042113153
-
-
PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
4
-
-
33645898818
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 244
-
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13
-
-
Perdew, J.P.1
Wang, Y.2
-
5
-
-
77954942079
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.085123
-
J. Sun, J. P. Perdew, and M. Seidl, Phys. Rev. B 81, 085123 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.085123
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085123
-
-
Sun, J.1
Perdew, J.P.2
Seidl, M.3
-
7
-
-
51149210200
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.61.689
-
R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989). RMPHAT 0034-6861 10.1103/RevModPhys.61.689
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689
-
-
Jones, R.O.1
Gunnarsson, O.2
-
8
-
-
0242593713
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401
-
J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.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
-
9
-
-
33845328066
-
-
JCPSA6 0021-9606 10.1063/1.2370993
-
Y. Zhao and D. G. Truhlar, J. Chem. Phys. 125, 194101 (2006). JCPSA6 0021-9606 10.1063/1.2370993
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 194101
-
-
Zhao, Y.1
Truhlar, D.G.2
-
10
-
-
68749089937
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.026403
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, and J. Sun, Phys. Rev. Lett. 103, 026403 (2009); PRLTAO 0031-9007 10.1103/PhysRevLett.103. 026403
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 026403
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Constantin, L.A.4
Sun, J.5
-
12
-
-
84864857079
-
-
JCPSA6 0021-9606 10.1063/1.4742312
-
J. Sun, B. Xiao, and A. Ruzsinszky, J. Chem. Phys. 137, 051101 (2012). JCPSA6 0021-9606 10.1063/1.4742312
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 051101
-
-
Sun, J.1
Xiao, B.2
Ruzsinszky, A.3
-
13
-
-
84864463209
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2012.06.025
-
J. M. del Campo, J. L. Gázquez, S. B. Trickey, and A. Vela, Chem. Phys. Lett. 543, 179 (2012). CHPLBC 0009-2614 10.1016/j.cplett.2012.06.025
-
(2012)
Chem. Phys. Lett.
, vol.543
, pp. 179
-
-
Del Campo, J.M.1
Gázquez, J.L.2
Trickey, S.B.3
Vela, A.4
-
14
-
-
84872149706
-
-
1549-9618 10.1021/ct300868x
-
P. Hao, J. Sun, B. Xiao, A. Ruzsinszky, G. I. Csonka, J. Tao, S. Glindmeyer, and J. P. Perdew, J. Chem. Theory Comput. 9, 355 (2013). 1549-9618 10.1021/ct300868x
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 355
-
-
Hao, P.1
Sun, J.2
Xiao, B.3
Ruzsinszky, A.4
Csonka, G.I.5
Tao, J.6
Glindmeyer, S.7
Perdew, J.P.8
-
15
-
-
84873599199
-
-
JCPSA6 0021-9606 10.1063/1.4789414
-
J. Sun, R. Haunschild, B. Xiao, I. W. Bulik, G. E. Scuseria, and J. P. Perdew, J. Chem. Phys. 138, 044113 (2013). JCPSA6 0021-9606 10.1063/1.4789414
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 044113
-
-
Sun, J.1
Haunschild, R.2
Xiao, B.3
Bulik, I.W.4
Scuseria, G.E.5
Perdew, J.P.6
-
17
-
-
84865101575
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.085405
-
M. Andersen, L. Hornekaer, and B. Hammer, Phys. Rev. B 86, 085405 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.085405
-
(2012)
Phys. Rev. B
, vol.86
, pp. 085405
-
-
Andersen, M.1
Hornekaer, L.2
Hammer, B.3
-
18
-
-
77956062988
-
-
NMAACR 1476-1122 10.1038/nmat2806
-
L. Schimka, J. Harl, A. Stroppa, A. Grueneis, M. Marsman, F. Mittendorfer, and G. Kresse, Nat. Mater. 9, 741 (2010). NMAACR 1476-1122 10.1038/nmat2806
-
(2010)
Nat. Mater.
, vol.9
, pp. 741
-
-
Schimka, L.1
Harl, J.2
Stroppa, A.3
Grueneis, A.4
Marsman, M.5
Mittendorfer, F.6
Kresse, G.7
-
19
-
-
79961076735
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.121410
-
J. Sun, M. Marsman, A. Ruzsinszky, G. Kresse, and J. P. Perdew, Phys. Rev. B 83, 121410(R) (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.121410
-
(2011)
Phys. Rev. B
, vol.83
-
-
Sun, J.1
Marsman, M.2
Ruzsinszky, A.3
Kresse, G.4
Perdew, J.P.5
-
20
-
-
0000735247
-
-
IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1999)75:4/5<889::AID- QUA54>3.0.CO;2-8
-
S. Kurth, J. P. Perdew, and P. Blaha, Int. J. Quantum Chem. 75, 889 (1999). IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1999)75:4/5<889::AID- QUA54>3.0.CO;2-8
-
(1999)
Int. J. Quantum Chem.
, vol.75
, pp. 889
-
-
Kurth, S.1
Perdew, J.P.2
Blaha, P.3
-
21
-
-
0031096294
-
-
SUSCAS 0039-6028 10.1016/S0039-6028(96)00785-6
-
Y. Gamo, A. Nagashima, M. Wakabayashi, M. Terai, and C. Oshima, Surf. Sci. 374, 61 (1997). SUSCAS 0039-6028 10.1016/S0039-6028(96)00785-6
-
(1997)
Surf. Sci.
, vol.374
, pp. 61
-
-
Gamo, Y.1
Nagashima, A.2
Wakabayashi, M.3
Terai, M.4
Oshima, C.5
-
22
-
-
82655169591
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.201401
-
F. Mittendorfer, A. Garhofer, J. Redinger, J. Klimeš, J. Harl, and G. Kresse, Phys. Rev. B 84, 201401(R) (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.201401
-
(2011)
Phys. Rev. B
, vol.84
-
-
Mittendorfer, F.1
Garhofer, A.2
Redinger, J.3
Klimeš, J.4
Harl, J.5
Kresse, G.6
-
23
-
-
84863308434
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.235149
-
J. Wellendorff, K. T. Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, J. K. Nørskov, T. Bligaard, and K. W. Jacobsen, Phys. Rev. B 85, 235149 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.235149
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235149
-
-
Wellendorff, J.1
Lundgaard, K.T.2
Møgelhøj, A.3
Petzold, V.4
Landis, D.D.5
Nørskov, J.K.6
Bligaard, T.7
Jacobsen, K.W.8
-
25
-
-
84884276270
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.111.106401 for further information.
-
-
-
-
27
-
-
83655203011
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.245501
-
G. X. Zhang, A. Tkatchenko, J. Paier, H. Appel, and M. Scheffler, Phys. Rev. Lett. 107, 245501 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.245501
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 245501
-
-
Zhang, G.X.1
Tkatchenko, A.2
Paier, J.3
Appel, H.4
Scheffler, M.5
-
28
-
-
84862237439
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.014111
-
P. Hao, Y. Fang, J. Sun, G. I. Csonka, P. H. T. Philipsen, and J. P. Perdew, Phys. Rev. B 85, 014111 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85. 014111
-
(2012)
Phys. Rev. B
, vol.85
, pp. 014111
-
-
Hao, P.1
Fang, Y.2
Sun, J.3
Csonka, G.I.4
Philipsen, P.H.T.5
Perdew, J.P.6
-
29
-
-
36549100412
-
-
JCPSA6 0021-9606 10.1063/1.458517
-
A. D. Becke and K. E. Edgecombe, J. Chem. Phys. 92, 5397 (1990). JCPSA6 0021-9606 10.1063/1.458517
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 5397
-
-
Becke, A.D.1
Edgecombe, K.E.2
-
30
-
-
0027946619
-
-
NATUAS 0028-0836 10.1038/371683a0
-
B. Silvi and A. Savin, Nature (London) 371, 683 (1994). NATUAS 0028-0836 10.1038/371683a0
-
(1994)
Nature (London)
, vol.371
, pp. 683
-
-
Silvi, B.1
Savin, A.2
-
33
-
-
0035932162
-
-
JCPSA6 0021-9606 10.1063/1.1329889
-
M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras, J. Chem. Phys. 114, 5149 (2001). JCPSA6 0021-9606 10.1063/1.1329889
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
34
-
-
33845342553
-
-
JCPSA6 0021-9606 10.1063/1.2387954
-
A. Ruzsinszky, J. P. Perdew, G. I. Csonka, O. A. Vydrov, and G. E. Scuseria, J. Chem. Phys. 125, 194112 (2006); JCPSA6 0021-9606 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
|