-
5
-
-
33947318633
-
-
A. Ruzsinszky, J. P. Perdew, G. I. Csonka, O. A. Vydrov, and G. E. Scuseria, J. Chem. Phys. 126, 104102 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 104102
-
-
Ruzsinszky, A.1
Perdew, J.P.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
-
6
-
-
33645319848
-
-
0022-3654 10.1021/j100099a021, ();, J. Chem. Phys. 101, 7408 (1994).
-
K. D. Dobbs and D. A. Dixon, J. Phys. Chem. 0022-3654 10.1021/j100099a021 98, 12584 (1994); T. N. Truong and W. Duncan, J. Chem. Phys. 101, 7408 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 12584
-
-
Dobbs, K.D.1
Dixon, D.A.2
Truong, T.N.3
Duncan, W.4
-
7
-
-
18344388730
-
-
0009-2614 10.1016/0009-2614(78)85330-5, ();, Phys. Rev. B 15, 2858 (1977).
-
K. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(78)85330-5 57, 605 (1978); H. B. Shore, J. H. Rose, and E. Zaremba, Phys. Rev. B 15, 2858 (1977).
-
(1978)
Chem. Phys. Lett.
, vol.57
, pp. 605
-
-
Schwarz, K.1
Shore, H.B.2
Rose, J.H.3
Zaremba, E.4
-
9
-
-
3343023108
-
-
S. J. A. van Gisbergen, P. R. T. Schipper, O. V. Gritsenko, E. J. Baerends, J. G. Snidjers, B. Champagne, and B. Kirtman, Phys. Rev. Lett. 83, 694 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 694
-
-
Van Gisbergen, S.J.A.1
Schipper, P.R.T.2
Gritsenko, O.V.3
Baerends, E.J.4
Snidjers, J.G.5
Champagne, B.6
Kirtman, B.7
-
12
-
-
28844456517
-
-
C. Toher, A. Filippetti, S. Sanvito, and K. Burke, Phys. Rev. Lett. 95, 146402 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 146402
-
-
Toher, C.1
Filippetti, A.2
Sanvito, S.3
Burke, K.4
-
14
-
-
33845342553
-
-
A. Ruzsinszky, J. P. Perdew, G. I. Csonka, O. A. Vydrov, and G. E. Scuseria, J. Chem. Phys. 125, 194112 (2006).
-
(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
-
17
-
-
0001132752
-
-
J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Phys. Rev. Lett. 49, 1691 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, J.L.4
-
21
-
-
35248875310
-
-
(R).
-
J. P. Perdew, A. Ruzsinkszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, V. N. Staroverov, and J. Tao, Phys. Rev. A 76, 040501 (R) (2007).
-
(2007)
Phys. Rev. A
, vol.76
, pp. 040501
-
-
Perdew, J.P.1
Ruzsinkszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Staroverov, V.N.6
Tao, J.7
-
22
-
-
45749125565
-
-
1050-2947 10.1103/PhysRevA.77.060502, (R).
-
A. Ruzsinszky, J. P. Perdew, G. I. Csonka, G. E. Scuseria, and O. A. Vydrov, Phys. Rev. A 1050-2947 10.1103/PhysRevA.77.060502 77, 060502 (R) (2008).
-
(2008)
Phys. Rev. A
, vol.77
, pp. 060502
-
-
Ruzsinszky, A.1
Perdew, J.P.2
Csonka, G.I.3
Scuseria, G.E.4
Vydrov, O.A.5
-
23
-
-
0004618854
-
-
It should be mentioned that a vast variety of alternatives to define a self-interaction correction can be found in the literature, e.g., ();, Phys. Rev. B 0163-1829 10.1103/PhysRevB.22.649 22, 649 (1980);, Phys. Rev. A 1050-2947 10.1103/PhysRevA.34.769 34, 769 (1986);, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996);, Int. J. Quantum Chem. 0020-7608 10.1002/1097-461X(2001)81:4<247::AID-QUA13.3.CO;2-0 81, 247 (2001);, Mol. Phys. 0026-8976 10.1080/0026897031000094506 101, 1363 (2002);, J. Phys. B 0953-4075 10.1088/0953-4075/35/4/333 35, 1115 (2002);, Phys. Rev. B 0163-1829 10.1103/PhysRevB.67.125109 67, 125109 (2003);, Phys. Rev. B 75, 045101 (2007). However, a detailed discussion of these approaches is outside the scope of this manuscript.
-
It should be mentioned that a vast variety of alternatives to define a self-interaction correction can be found in the literature, e.g., E. Fermi and E. Amaldi, Accad. Ital. Roma 6, 119 (1934); A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.22.649 22, 649 (1980); P. Cortona, Phys. Rev. A 1050-2947 10.1103/PhysRevA.34.769 34, 769 (1986); D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996); U. Lundin and O. Eriksson, Int. J. Quantum Chem. 0020-7608 10.1002/1097-461X(2001) 81:4<247::AID-QUA13.3.CO;2-0 81, 247 (2001); S. Kümmel and J. P. Perdew, Mol. Phys. 0026-8976 10.1080/0026897031000094506 101, 1363 (2002); C. Legrand, E. Suraud, and P.-G. Reinhard, J. Phys. B 0953-4075 10.1088/0953-4075/35/4/333 35, 1115 (2002); A. Filippetti and N. A. Spaldin, Phys. Rev. B 0163-1829 10.1103/PhysRevB.67.125109 67, 125109 (2003); C. D. Pemmaraju, T. Archer, D. Sánchez-Portal, and V. N. Sanvito, Phys. Rev. B 75, 045101 (2007). However, a detailed discussion of these approaches is outside the scope of this manuscript.
-
(1934)
Accad. Ital. Roma
, vol.6
, pp. 119
-
-
Fermi, E.1
Amaldi, E.2
Zunger, A.3
Cortona, P.4
Vogel, D.5
Krüger, P.6
Pollmann, J.7
Lundin, U.8
Eriksson, O.9
Kümmel, S.10
Perdew, J.P.11
Legrand, C.12
Suraud, E.13
Reinhard, P.-G.14
Filippetti, A.15
Spaldin, N.A.16
Pemmaraju, C.D.17
Archer, T.18
Sánchez-Portal, D.19
Sanvito, V.N.20
more..
-
26
-
-
36549104025
-
-
0021-9606 10.1063/1.446959, ();, J. Chem. Phys. 0021-9606 10.1063/1.448266 82, 2688 (1985);, J. Chem. Phys. 88, 1807 (1988).
-
M. R. Pederson, R. A. Heaton, and C. C. Lin, J. Chem. Phys. 0021-9606 10.1063/1.446959 80, 1972 (1984); M. R. Pederson, R. A. Heaton, and C. C. Lin, J. Chem. Phys. 0021-9606 10.1063/1.448266 82, 2688 (1985); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 1972
-
-
Pederson, M.R.1
Heaton, R.A.2
Lin, C.C.3
Pederson, M.R.4
Heaton, R.A.5
Lin, C.C.6
Pederson, M.R.7
Lin, C.C.8
-
28
-
-
0035848130
-
-
W. M. Temmerman, H. Winter, Z. Szotek, and A. Svane, Phys. Rev. Lett. 86, 2435 (2001).
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 2435
-
-
Temmerman, W.M.1
Winter, H.2
Szotek, Z.3
Svane, A.4
-
32
-
-
0001847037
-
-
B. G. Johnson, C. A. Gonzales, P. M. W. Gill, and J. A. Pople, Chem. Phys. Lett. 221, 100 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.221
, pp. 100
-
-
Johnson, B.G.1
Gonzales, C.A.2
Gill, P.M.W.3
Pople, J.A.4
-
34
-
-
34547555133
-
-
O. A. Vydrov, G. E. Scuseria, J. P. Perdew, A. Ruzsinkszky, and G. I. Csonka, J. Chem. Phys. 124, 094108 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 094108
-
-
Vydrov, O.A.1
Scuseria, G.E.2
Perdew, J.P.3
Ruzsinkszky, A.4
Csonka, G.I.5
-
36
-
-
0003846693
-
-
in, edited by V. Anisimov (Gordon & Breach, Tokyo).
-
T. Grabo, T. Kreiblich, S. Kurth, and E. K. U. Gross, in Strong Coulomb Correlation in Electronic Structure: Beyond the Local Density Approximation, edited by, V. Anisimov, (Gordon & Breach, Tokyo, 2000).
-
(2000)
Strong Coulomb Correlation in Electronic Structure: Beyond the Local Density Approximation
-
-
Grabo, T.1
Kreiblich, T.2
Kurth, S.3
Gross, E.K.U.4
-
37
-
-
0001728634
-
-
J. Chen, J. B. Krieger, Y. Li, G. J. Iafrate, Phys. Rev. A 54, 3939 (1996).
-
(1996)
Phys. Rev. A
, vol.54
, pp. 3939
-
-
Chen, J.1
Krieger, J.B.2
Li, Y.3
Iafrate, G.J.4
-
43
-
-
36149005506
-
-
0031-899X 10.1103/PhysRev.90.317, ();, Phys. Rev. A 14, 36 (1976).
-
R. T. Sharp and G. K. Horton, Phys. Rev. 0031-899X 10.1103/PhysRev.90.317 90, 317 (1953); J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
-
(1953)
Phys. Rev.
, vol.90
, pp. 317
-
-
Sharp, R.T.1
Horton, G.K.2
Talman, J.D.3
Shadwick, W.F.4
-
45
-
-
0012459223
-
-
Phys. Rev. Lett., ();, in, Theoretical and Computational Chemistry Vol. 4, edited by J. M. Seminario (Elsevier Science, Amsterdam, 1996), 391.
-
M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996); M. E. Casida, in Recent Developments and Applications in Density Functional Theory, Theoretical and Computational Chemistry Vol. 4, edited by, J. M. Seminario, (Elsevier Science, Amsterdam, 1996), p. 391.
-
(1996)
Recent Developments and Applications in Density Functional Theory
, vol.76
, pp. 1212
-
-
Petersilka, M.1
Gossmann, U.J.2
Gross, E.K.U.3
Casida, M.E.4
-
50
-
-
11944252202
-
-
1050-2947 10.1103/PhysRevA.45.101, ();, Phys. Rev. A 46, 5453 (1992).
-
J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 1050-2947 10.1103/PhysRevA.45.101 45, 101 (1992); J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 46, 5453 (1992).
-
(1992)
Phys. Rev. A
, vol.45
, pp. 101
-
-
Krieger, J.B.1
Li, Y.2
Iafrate, G.J.3
Krieger, J.B.4
Li, Y.5
Iafrate, G.J.6
-
55
-
-
36149005549
-
-
0034-6861 10.1103/RevModPhys.32.296, ();, Rev. Mod. Phys. 32, 300 (1960).
-
S. F. Boys, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.32.296 32, 296 (1960); J. M. Foster and S. F. Boys, Rev. Mod. Phys. 32, 300 (1960).
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 296
-
-
Boys, S.F.1
Foster, J.M.2
Boys, S.F.3
-
59
-
-
33646134373
-
-
L. Kronik, A. Makmal, M. L. Tiago, M. M. G. Alemany, M. Jain, X. Huang, Y. Saad, and J. R. Chelikowsky, Phys. Status Solidi B 243, 1063 (2006).
-
(2006)
Phys. Status Solidi B
, vol.243
, pp. 1063
-
-
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
-
67
-
-
46749109867
-
-
We acknowledge a discussion with R. Car on this subject during the "" in.
-
We acknowledge a discussion with R. Car on this subject during the " Safed Summer School on Density functional Theory. " in 2007.
-
(2007)
Safed Summer School on Density Functional Theory
-
-
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