-
1
-
-
10644250257
-
-
10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
3
-
-
33749512386
-
-
10.1016/0031-8914(47)90013-X
-
J. Korringa, Physica (Amsterdam) 13, 392 (1947). 10.1016/0031-8914(47) 90013-X
-
(1947)
Physica (Amsterdam)
, vol.13
, pp. 392
-
-
Korringa, J.1
-
4
-
-
36149025490
-
-
10.1103/PhysRev.94.1111
-
W. Kohn and N. Rostoker, Phys. Rev. 94, 1111 (1954). 10.1103/PhysRev.94. 1111
-
(1954)
Phys. Rev.
, vol.94
, pp. 1111
-
-
Kohn, W.1
Rostoker, N.2
-
5
-
-
0000076095
-
-
10.1103/PhysRevB.49.2721
-
L. Szunyogh, B. Ujfalussy, P. Weinberger, and J. Kollár, Phys. Rev. B 49, 2721 (1994). 10.1103/PhysRevB.49.2721
-
(1994)
Phys. Rev. B
, vol.49
, pp. 2721
-
-
Szunyogh, L.1
Ujfalussy, B.2
Weinberger, P.3
Kollár, J.4
-
7
-
-
0003582440
-
-
in Lecture Notes in Physics: Electronic Band Structure and Its Applications, edited by M. Yussouff (Springer-Verlag, Berlin
-
O. K. Andersen, O. Jepsen, and M. Sob, in Linearized Band Structure Methods, Lecture Notes in Physics: Electronic Band Structure and Its Applications, edited by, M. Yussouff, (Springer-Verlag, Berlin, 1987).
-
(1987)
Linearized Band Structure Methods
-
-
Andersen, O.K.1
Jepsen, O.2
Sob, M.3
-
9
-
-
0003773268
-
-
in edited by W. H. Butler, P. H. Dederichs, A. Gonis, and R. L. Weaver (Materials Research Society, Pittsburgh, PA
-
O. K. Andersen, A. V. Postnikov, and S. Y. Savrasov, in Applications of Multiple Scattering Theory in Materials Science, edited by, W. H. Butler,,, P. H. Dederichs,,, A. Gonis,, and, R. L. Weaver, (Materials Research Society, Pittsburgh, PA, 1992).
-
(1992)
Applications of Multiple Scattering Theory in Materials Science
-
-
Andersen, O.K.1
Postnikov, A.V.2
Savrasov, S.Y.3
-
10
-
-
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
-
11
-
-
0031699002
-
-
edited by L. Colombo, A. Gonis, and P. Turchi, MRS Symposia Proceedings No. 91 (Materials Research Society, Pittsburgh, PA
-
O. K. Andersen, C. Arcangeli, R. W. Tank, T. Saha-Dasgupta, G. Krier, O. Jepsen, and I. Dasgupta, Tight-Binding Approach to Computational Materials Science, edited by, L. Colombo,,, A. Gonis,, and, P. Turchi,, MRS Symposia Proceedings No. 91 (Materials Research Society, Pittsburgh, PA, 1998), p. 3-34.
-
(1998)
Tight-Binding Approach to Computational Materials Science
, pp. 3-34
-
-
Andersen, O.K.1
Arcangeli, C.2
Tank, R.W.3
Saha-Dasgupta, T.4
Krier, G.5
Jepsen, O.6
Dasgupta, I.7
-
12
-
-
0002091571
-
-
10.1016/S0927-0256(99)00098-1
-
L. Vitos, H. L. Skriver, B. Johansson, and J. Kollár, Comput. Mater. Sci. 18, 24 (2000). 10.1016/S0927-0256(99)00098-1
-
(2000)
Comput. Mater. Sci.
, vol.18
, pp. 24
-
-
Vitos, L.1
Skriver, H.L.2
Johansson, B.3
Kollár, J.4
-
13
-
-
0034906979
-
-
10.1103/PhysRevB.64.014107
-
L. Vitos, Phys. Rev. B 64, 014107 (2001). 10.1103/PhysRevB.64.014107
-
(2001)
Phys. Rev. B
, vol.64
, pp. 014107
-
-
Vitos, L.1
-
15
-
-
51449121425
-
-
Computational Quantum Mechanics for Materials Engineers (Springer-Verlag, London
-
L. Vitos, The EMTO Method and Applications, Computational Quantum Mechanics for Materials Engineers (Springer-Verlag, London, 2007).
-
(2007)
The EMTO Method and Applications
-
-
Vitos, L.1
-
16
-
-
0002345767
-
-
in Lecture Notes in Physics, edited by H. Dreyssé (10.1007/3-540-46437-9-4 Springer-Verlag, Berlin
-
J. M. Wills, O. Eriksson, M. Alouani, and D. L. Price, in Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lecture Notes in Physics, edited by, H. Dreyssé, (Springer-Verlag, Berlin, 2000), p. 148. 10.1007/3-540-46437-9-4
-
(2000)
Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method
, pp. 148
-
-
Wills, J.M.1
Eriksson, O.2
Alouani, M.3
Price, D.L.4
-
17
-
-
0001942989
-
-
in Lecture Notes in Physics, edited by H. Dreyssé (10.1007/3-540-46437-9-3 Springer-Verlag, Berlin
-
M. Methfessel, M. van Schilfgaarde, and R. A. Casali, in Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lecture Notes in Physics, edited by, H. Dreyssé, (Springer-Verlag, Berlin, 2000), p. 114. 10.1007/3-540-46437-9-3
-
(2000)
Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method
, pp. 114
-
-
Methfessel, M.1
Van Schilfgaarde, M.2
Casali, R.A.3
-
19
-
-
0001653454
-
-
10.1103/PhysRevB.60.5202
-
M. Asato, A. Settels, T. Hoshino, T. Asada, S. Blügel, R. Zeller, and P. H. Dederichs, Phys. Rev. B 60, 5202 (1999). 10.1103/PhysRevB.60.5202
-
(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
-
22
-
-
4244052698
-
-
10.1103/PhysRevB.31.1909
-
H. L. Skriver, Phys. Rev. B 31, 1909 (1985). 10.1103/PhysRevB.31.1909
-
(1985)
Phys. Rev. B
, vol.31
, pp. 1909
-
-
Skriver, H.L.1
-
24
-
-
0001836389
-
-
in Lecture Notes in Physics edited by H. Dreyssé Springer-Verlag, Berlin 10.1007/3-540-46437-9-2
-
J. Kollár, L. Vitos, and H. L. Skriver, in Electronic Structure and Physical Properties of Solids: The Uses of the LMTO Method, Lecture Notes in Physics, edited by, H. Dreyssé, (Springer-Verlag, Berlin, 2000), p. 85. 10.1007/3-540-46437-9-2
-
(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
-
25
-
-
0042023739
-
-
10.1016/S0022-3115(03)00207-1
-
P. Olsson, I. A. Abrikosov, L. Vitos, and J. Wallenius, J. Nucl. Mater. 321, 84 (2003). 10.1016/S0022-3115(03)00207-1
-
(2003)
J. Nucl. Mater.
, vol.321
, pp. 84
-
-
Olsson, P.1
Abrikosov, I.A.2
Vitos, L.3
Wallenius, J.4
-
26
-
-
0037422067
-
-
10.1038/nature01422
-
L. Dubrovinsky, N. Dubrovinskaia, F. Langenhorst, D. Dobson, D. Rubie, C. Geβmann, I. A. Abrikosov, B. Johansson, V. I. Baykov, L. Vitos, T. Le Bihan, W. A. Crichton, V. Dmitriev, and H.-P. Weber, Nature (London) 422, 58 (2003). 10.1038/nature01422
-
(2003)
Nature (London)
, vol.422
, pp. 58
-
-
Dubrovinsky, L.1
Dubrovinskaia, N.2
Langenhorst, F.3
Dobson, D.4
Rubie, D.5
Gemann, C.6
Abrikosov, I.A.7
Johansson, B.8
Baykov, V.I.9
Vitos, L.10
Le Bihan, T.11
Crichton, W.A.12
Dmitriev, V.13
Weber, H.-P.14
-
28
-
-
33244487428
-
-
10.1103/PhysRevLett.95.245502
-
N. Dubrovinskaia, L. Dubrovinsky, I. Kantor, W. A. Crichton, V. Dmitriev, V. Prakapenka, G. Shen, L. Vitos, R. Ahuja, B. Johansson, and I. A. Abrikosov, Phys. Rev. Lett. 95, 245502 (2005). 10.1103/PhysRevLett.95.245502
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 245502
-
-
Dubrovinskaia, N.1
Dubrovinsky, L.2
Kantor, I.3
Crichton, W.A.4
Dmitriev, V.5
Prakapenka, V.6
Shen, G.7
Vitos, L.8
Ahuja, R.9
Johansson, B.10
Abrikosov, I.A.11
-
29
-
-
16844365751
-
-
10.1103/PhysRevB.71.014201
-
A. Taga, L. Vitos, B. Johansson, and G. Grimvall, Phys. Rev. B 71, 014201 (2005). 10.1103/PhysRevB.71.014201
-
(2005)
Phys. Rev. B
, vol.71
, pp. 014201
-
-
Taga, A.1
Vitos, L.2
Johansson, B.3
Grimvall, G.4
-
30
-
-
33645030408
-
-
10.1103/PhysRevB.73.104203
-
L. Huang, L. Vitos, S. K. Kwon, B. Johansson, and R. Ahuja, Phys. Rev. B 73, 104203 (2006). 10.1103/PhysRevB.73.104203
-
(2006)
Phys. Rev. B
, vol.73
, pp. 104203
-
-
Huang, L.1
Vitos, L.2
Kwon, S.K.3
Johansson, B.4
Ahuja, R.5
-
32
-
-
25144438541
-
-
10.1016/j.commatsci.2005.04.001
-
A. E. Kissavos, S. I. Simak, P. Olsson, L. Vitos, and I. A. Abrikosov, Comput. Mater. Sci. 35, 1 (2006). 10.1016/j.commatsci.2005.04.001
-
(2006)
Comput. Mater. Sci.
, vol.35
, pp. 1
-
-
Kissavos, A.E.1
Simak, S.I.2
Olsson, P.3
Vitos, L.4
Abrikosov, I.A.5
-
37
-
-
59249084269
-
-
10.1029/2001JB000686
-
B. Magyari-Köpe, L. Vitos, B. Johansson, and J. Kollár, J. Geophys. Res. 107, 2136 (2002). 10.1029/2001JB000686
-
(2002)
J. Geophys. Res.
, vol.107
, pp. 2136
-
-
Magyari-Köpe, B.1
Vitos, L.2
Johansson, B.3
Kollár, J.4
-
38
-
-
0037008372
-
-
10.1016/S0167-2738(02)00403-4
-
A. Landa, C.-C. Chang, P. N. Kumta, L. Vitos, and I. A. Abrikosov, Solid State Ionics 149, 209 (2002). 10.1016/S0167-2738(02)00403-4
-
(2002)
Solid State Ionics
, vol.149
, pp. 209
-
-
Landa, A.1
Chang, C.-C.2
Kumta, P.N.3
Vitos, L.4
Abrikosov, I.A.5
-
39
-
-
0037092854
-
-
10.1103/PhysRevB.65.193107
-
B. Magyari-Köpe, L. Vitos, G. Grimvall, B. Johansson, and J. Kollár, Phys. Rev. B 65, 193107 (2002). 10.1103/PhysRevB.65.193107
-
(2002)
Phys. Rev. B
, vol.65
, pp. 193107
-
-
Magyari-Köpe, B.1
Vitos, L.2
Grimvall, G.3
Johansson, B.4
Kollár, J.5
-
40
-
-
0001030299
-
-
10.1107/S010876810100893X
-
B. Magyari-Köpe, L. Vitos, B. Johansson, and J. Kollár, Acta Crystallogr., Sect. B: Struct. Sci. 57, 491 (2001). 10.1107/S010876810100893X
-
(2001)
Acta Crystallogr., Sect. B: Struct. Sci.
, vol.57
, pp. 491
-
-
Magyari-Köpe, B.1
Vitos, L.2
Johansson, B.3
Kollár, J.4
-
45
-
-
70350574632
-
-
10.1016/j.jssc.2009.08.027
-
M. Sahlberg, P. Beran, T. K. Nielsen, Y. Cerenius, K. Kádas, M. P. J. Punkkinen, L. Vitos, O. Eriksson, T. R. Jensen, and Y. Andersson, J. Solid State Chem. 182, 3113 (2009). 10.1016/j.jssc.2009.08.027
-
(2009)
J. Solid State Chem.
, vol.182
, pp. 3113
-
-
Sahlberg, M.1
Beran, P.2
Nielsen, T.K.3
Cerenius, Y.4
Kádas, K.5
Punkkinen, M.P.J.6
Vitos, L.7
Eriksson, O.8
Jensen, T.R.9
Andersson, Y.10
-
46
-
-
33645898818
-
-
10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
48
-
-
41849095114
-
-
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. 100, 136406 (2008); see also the supplementary information. 10.1103/PhysRevLett.100.136406
-
(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
-
52
-
-
12844286241
-
-
10.1103/PhysRevB.47.558;
-
G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993) 10.1103/PhysRevB.47. 558
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558
-
-
Kresse, G.1
Hafner, J.2
-
53
-
-
27744460065
-
-
10.1103/PhysRevB.49.14251;
-
G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994) 10.1103/PhysRevB.49.14251
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14251
-
-
Kresse, G.1
Hafner, J.2
-
57
-
-
0001340248
-
-
10.1063/1.475718
-
K. G. Nakamura, K. Ishioka, M. Kitajima, A. Endou, M. Kubo, and A. Miyamoto, J. Chem. Phys. 108, 3222 (1998). 10.1063/1.475718
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3222
-
-
Nakamura, K.G.1
Ishioka, K.2
Kitajima, M.3
Endou, A.4
Kubo, M.5
Miyamoto, A.6
-
58
-
-
0000735247
-
-
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). 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
-
59
-
-
0043065404
-
-
10.1016/S0925-8388(03)00272-X
-
A. G. Aleksanyan, S. K. Dolukhanyan, V. S. Shekhtman, K. S. Harutyunyan, K. A. Abrahamyan, and N. L. Mnatsakanyan, J. Alloys Compd. 356-357, 562 (2003). 10.1016/S0925-8388(03)00272-X
-
(2003)
J. Alloys Compd.
, vol.356-357
, pp. 562
-
-
Aleksanyan, A.G.1
Dolukhanyan, S.K.2
Shekhtman, V.S.3
Harutyunyan, K.S.4
Abrahamyan, K.A.5
Mnatsakanyan, N.L.6
|