-
1
-
-
10644250257
-
-
PHRVAO 0031-899X 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
3
-
-
3343027270
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.47.446
-
D. C. Langreth and M. J. Mehl, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.47.446 47, 446 (1981).
-
(1981)
Phys. Rev. Lett.
, vol.47
, pp. 446
-
-
Langreth, D.C.1
Mehl, M.J.2
-
4
-
-
18144378706
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.33.8800
-
J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8800 33, 8800 (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8800
-
-
Perdew, J.P.1
Wang, Y.2
-
5
-
-
5944261746
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.33.8822
-
J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
6
-
-
0003754095
-
-
edited by P. Ziesche and H. Eschrig (Akademie, Berlin
-
J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie, Berlin, 1991).
-
(1991)
Electronic Structure of Solids '91
-
-
Perdew, J.P.1
-
8
-
-
85029400214
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
-
Y. Zhang and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.890 80, 890 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890
-
-
Zhang, Y.1
Yang, W.2
-
10
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
11
-
-
4243553426
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
-
(1988)
Phys. Rev. a
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
12
-
-
0001652762
-
-
JCPSA6 0021-9606 10.1063/1.477267
-
F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477267 109, 6264 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
14
-
-
0034667118
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.62.10046
-
L. Vitos, B. Johansson, J. Kollár, and H. L. Skriver, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.10046 62, 10046 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 10046
-
-
Vitos, L.1
Johansson, B.2
Kollár, J.3
Skriver, H.L.4
-
15
-
-
33644936253
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.72.085108
-
R. Armiento and A. E. Mattsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.085108 72, 085108 (2005).
-
(2005)
Phys. Rev. B
, vol.72
, pp. 085108
-
-
Armiento, R.1
Mattsson, A.E.2
-
16
-
-
41849095114
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). See also the Supplementary Information.
-
(2008)
Phys. Rev. Lett.
, vol.100
, 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
-
17
-
-
0001166705
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.81.3487
-
W. Kohn and A. E. Mattsson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.3487 81, 3487 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 3487
-
-
Kohn, W.1
Mattsson, A.E.2
-
18
-
-
0347111139
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.61.052511
-
L. Vitos, B. Johansson, J. Kollár, and H. L. Skriver, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.61.052511 61, 052511 (2000).
-
(2000)
Phys. Rev. a
, vol.61
, pp. 052511
-
-
Vitos, L.1
Johansson, B.2
Kollár, J.3
Skriver, H.L.4
-
19
-
-
0037109986
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.66.165117
-
R. Armiento and A. E. Mattsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.165117 66, 165117 (2002).
-
(2002)
Phys. Rev. B
, vol.66
, pp. 165117
-
-
Armiento, R.1
Mattsson, A.E.2
-
21
-
-
40149107170
-
-
JCPSA6 0021-9606 10.1063/1.2835596
-
A. E. Mattsson, R. Armiento, J. Paier, G. Kresse, J. M. Wills, and T. R. Mattsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2835596 128, 084714 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 084714
-
-
Mattsson, A.E.1
Armiento, R.2
Paier, J.3
Kresse, G.4
Wills, J.M.5
Mattsson, T.R.6
-
22
-
-
0242593713
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401
-
J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401 91, 146401 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
23
-
-
23244460838
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.46.6671
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
24
-
-
0032136099
-
-
SUSCAS 0039-6028 10.1016/S0039-6028(98)00363-X
-
L. Vitos, A. V. Ruban, H. L. Skriver, and K. Kollár, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00363-X 411, 186 (1998).
-
(1998)
Surf. Sci.
, vol.411
, pp. 186
-
-
Vitos, L.1
Ruban, A.V.2
Skriver, H.L.3
Kollár, K.4
-
25
-
-
31144435795
-
-
SUSCAS 0039-6028 10.1016/j.susc.2005.10.035
-
W. Liu, X. Liu, W. T. Zheng, and Q. Jiang, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2005.10.035 600, 257 (2006).
-
(2006)
Surf. Sci.
, vol.600
, pp. 257
-
-
Liu, W.1
Liu, X.2
Zheng, W.T.3
Jiang, Q.4
-
27
-
-
33645898818
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
28
-
-
33744691386
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
29
-
-
0002091571
-
-
CMMSEM 0927-0256 10.1016/S0927-0256(99)00098-1
-
L. Vitos, H. L. Skriver, B. Johansson, and J. Kollár, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(99)00098-1 18, 24 (2000).
-
(2000)
Comput. Mater. Sci.
, vol.18
, pp. 24
-
-
Vitos, L.1
Skriver, H.L.2
Johansson, B.3
Kollár, J.4
-
30
-
-
0034906979
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.014107
-
L. Vitos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.014107 64, 014107 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 014107
-
-
Vitos, L.1
-
31
-
-
0003934265
-
-
World Scientific, Singapore
-
O. K. Andersen, O. Jepsen, and G. Krier, Lectures on Methods of Electronic Structure Calculation (World Scientific, Singapore, 1994), p. 63.
-
(1994)
Lectures on Methods of Electronic Structure Calculation
, pp. 63
-
-
Andersen, O.K.1
Jepsen, O.2
Krier, G.3
-
32
-
-
0001836389
-
-
Lectures Notes in Physics edited by H. Dreyssé Springer-Verlag, Berlin
-
J. Kollár, L. Vitos, and H. L. Skriver, in Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lectures Notes in Physics, edited by, H. Dreyssé, (Springer-Verlag, Berlin, 2000), p. 85.
-
(2000)
Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method
, pp. 85
-
-
Kollár, J.1
Vitos, L.2
Skriver, H.L.3
-
33
-
-
0001653454
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.60.5202
-
M. Asato, A. Settels, T. Hoshino, T. Asada, S. Blügel, R. Zeller, and P. H. Dederichs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.5202 60, 5202 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 5202
-
-
Asato, M.1
Settels, A.2
Hoshino, T.3
Asada, T.4
Blügel, S.5
Zeller, R.6
Dederichs, P.H.7
-
36
-
-
1042288203
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.245417
-
J. Kollár, L. Vitos, J. M. Osorio-Guillén, and R. Ahuja, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.245417 68, 245417 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 245417
-
-
Kollár, J.1
Vitos, L.2
Osorio-Guillén, J.M.3
Ahuja, R.4
-
37
-
-
1642408436
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.075102
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.075102 69, 075102 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 075102
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
38
-
-
0000680006
-
-
SUSCAS 0039-6028 10.1016/0039-6028(77)90442-3
-
W. R. Tyson and W. A. Miller, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(77)90442-3 62, 267 (1977).
-
(1977)
Surf. Sci.
, vol.62
, pp. 267
-
-
Tyson, W.R.1
Miller, W.A.2
-
39
-
-
0004180037
-
-
North-Holland, Amsterdam
-
F. R. de Boer, R. Boom, W. C. M. Mattens, A. R. Miedema, and A. K. Niessen, Cohesion in Metals (North-Holland, Amsterdam, 1988).
-
(1988)
Cohesion in Metals
-
-
De Boer, F.R.1
Boom, R.2
Mattens, W.C.M.3
Miedema, A.R.4
Niessen, A.K.5
|