-
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
-
-
41849095114
-
Restoring the density-gradient expansion for exchange in solids and surfaces
-
DOI 10.1103/PhysRevLett.100.136406
-
J.P. Perdew, Phys. Rev. Lett. 100, 136406 (2008); PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 (Pubitemid 351503187)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
5
-
-
59949095600
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.102.039902
-
J.P. Perdew Phys. Rev. Lett. 102, 039902(E) (2009); PRLTAO 0031-9007 10.1103/PhysRevLett.102.039902
-
(2009)
Phys. Rev. Lett.
, vol.102
-
-
Perdew, J.P.1
-
6
-
-
57449088398
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.101.239702
-
J.P. Perdew Phys. Rev. Lett. 101, 239702 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.239702
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 239702
-
-
Perdew, J.P.1
-
8
-
-
0242593713
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401
-
J. Tao, 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
-
9
-
-
68749089937
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.026403
-
J.P. Perdew, 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
-
10
-
-
85029400214
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
-
Y. Zhang and W. Yang, Phys. Rev. Lett. 80, 890 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890
-
-
Zhang, Y.1
Yang, W.2
-
11
-
-
4243553426
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
-
A.D. Becke, Phys. Rev. A 38, 3098 (1988); PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
12
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785
-
C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B PRBMDO 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
13
-
-
33845219115
-
Relevance of the slowly varying electron gas to atoms, molecules, and solids
-
DOI 10.1103/PhysRevLett.97.223002
-
J.P. Perdew, Phys. Rev. Lett. 97, 223002 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.223002 (Pubitemid 44853871)
-
(2006)
Physical Review Letters
, vol.97
, Issue.22
, pp. 223002
-
-
Perdew, J.P.1
Constantin, L.A.2
Sagvolden, E.3
Burke, K.4
-
14
-
-
34047262363
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.44.8454
-
P. Cortona, Phys. Rev. B PRBMDO 0163-1829 44, 8454 (1991). 10.1103/PhysRevB.44.8454
-
(1991)
Phys. Rev. B
, vol.44
, pp. 8454
-
-
Cortona, P.1
-
15
-
-
33750447832
-
-
JPCHAX 0022-3654 10.1021/j100132a040
-
T.A. Wesolowski and A. Warshel, J. Phys. Chem. 97, 8050 (1993). JPCHAX 0022-3654 10.1021/j100132a040
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 8050
-
-
Wesolowski, T.A.1
Warshel, A.2
-
16
-
-
33748354708
-
Self-consistent embedding theory for locally correlated configuration interaction wave functions in condensed matter
-
DOI 10.1063/1.2336428
-
P. Huang and E.A. Carter, J. Chem. Phys. 125, 084102 (2006). JCPSA6 0021-9606 10.1063/1.2336428 (Pubitemid 44334923)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.8
, pp. 084102
-
-
Huang, P.1
Carter, E.A.2
-
18
-
-
0030569696
-
-
CHPLBC 0009-2614 10.1016/0009-2614(95)01281-8
-
T.A. Wesolowski and J. Weber, Chem. Phys. Lett. 248, 71 (1996). CHPLBC 0009-2614 10.1016/0009-2614(95)01281-8
-
(1996)
Chem. Phys. Lett.
, vol.248
, pp. 71
-
-
Wesolowski, T.A.1
Weber, J.2
-
19
-
-
34247400718
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.155109
-
J.P. Perdew and L.A. Constantin, Phys. Rev. B PRBMDO 1098-0121 75, 155109 (2007). 10.1103/PhysRevB.75.155109
-
(2007)
Phys. Rev. B
, vol.75
, pp. 155109
-
-
Perdew, J.P.1
Constantin, L.A.2
-
20
-
-
34047255601
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.50.5328
-
A. Lembarki and H. Chermette, Phys. Rev. A 50, 5328 (1994). PLRAAN 1050-2947 10.1103/PhysRevA.50.5328
-
(1994)
Phys. Rev. A
, vol.50
, pp. 5328
-
-
Lembarki, A.1
Chermette, H.2
-
21
-
-
0000211722
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.44.768
-
H. Lee, C. Lee, and R.G. Parr, Phys. Rev. A 44, 768 (1991); PLRAAN 1050-2947 10.1103/PhysRevA.44.768
-
(1991)
Phys. Rev. A
, vol.44
, pp. 768
-
-
Lee, H.1
Lee, C.2
Parr, R.G.3
-
22
-
-
84987071680
-
-
IJQCB2 0020-7608 10.1002/qua.560390405
-
N. March and R. Santamaria, Int. J. Quantum Chem. IJQCB2 0020-7608 39, 585 (1991). 10.1002/qua.560390405
-
(1991)
Int. J. Quantum Chem.
, vol.39
, pp. 585
-
-
March, N.1
Santamaria, R.2
-
23
-
-
0037105502
-
Link between the kinetic- and exchange-energy functionals in the generalized gradient approximation
-
DOI 10.1002/qua.10306
-
F. Tran and T.A. Wesolowski, Int. J. Quantum Chem. IJQCB2 0020-7608 89, 441 (2002). 10.1002/qua.10306 (Pubitemid 35011745)
-
(2002)
International Journal of Quantum Chemistry
, vol.89
, Issue.5
, pp. 441-446
-
-
Tran, F.1
Wesoowski, T.A.2
-
24
-
-
0001763489
-
-
PHMAA4 0031-8086
-
J.M.C. Scott, Philos. Mag. PHMAA4 0031-8086 43, 859 (1952).
-
(1952)
Philos. Mag.
, vol.43
, pp. 859
-
-
Scott, J.M.C.1
-
25
-
-
0040253595
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.29.2339
-
B.-G. Englert and J. Schwinger, Phys. Rev. A 29, 2339 (1984); PLRAAN 1050-2947 10.1103/PhysRevA.29.2339
-
(1984)
Phys. Rev. A
, vol.29
, pp. 2339
-
-
Englert, B.-G.1
Schwinger, J.2
-
26
-
-
0004402268
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.32.26
-
B.-G. Englert J. Schwinger Phys. Rev. A 32, 26 (1985). PLRAAN 1050-2947 10.1103/PhysRevA.32.26
-
(1985)
Phys. Rev. A
, vol.32
, pp. 26
-
-
Englert, B.-G.1
Schwinger, J.2
-
27
-
-
70350648863
-
-
CJCHAG 0008-4042 10.1139/V09-095
-
P. Elliott and K. Burke, Can. J. Chem. 87, 1485 (2009). CJCHAG 0008-4042 10.1139/V09-095
-
(2009)
Can. J. Chem.
, vol.87
, pp. 1485
-
-
Elliott, P.1
Burke, K.2
-
28
-
-
58749113260
-
-
JCPSA6 0021-9606 10.1063/1.3059783
-
D. Lee, J. Chem. Phys. 130, 034107 (2009). JCPSA6 0021-9606 10.1063/1.3059783
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 034107
-
-
Lee, D.1
-
29
-
-
0001111766
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.31.6779
-
P.R. Antoniewicz and L. Kleinman, Phys. Rev. B PRBMDO 0163-1829 31, 6779 (1985). 10.1103/PhysRevB.31.6779
-
(1985)
Phys. Rev. B
, vol.31
, pp. 6779
-
-
Antoniewicz, P.R.1
Kleinman, L.2
-
30
-
-
79960647512
-
-
See supplemental material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.106.186406 for computational details, definition of test sets, and full results for Tables
-
-
-
-
31
-
-
0039892284
-
-
JCPSA6 0021-9606 10.1063/1.450025
-
A.D. Becke, J. Chem. Phys. 84, 4524 (1986). JCPSA6 0021-9606 10.1063/1.450025
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4524
-
-
Becke, A.D.1
-
32
-
-
0035331016
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.63.052508
-
S.S. Iyengar, Phys. Rev. A 63, 052508 (2001). PLRAAN 1050-2947 10.1103/PhysRevA.63.052508
-
(2001)
Phys. Rev. A
, vol.63
, pp. 052508
-
-
Iyengar, S.S.1
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