-
1
-
-
11944256577
-
-
10.1103/RevModPhys.64.1045
-
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992). 10.1103/RevModPhys.64.1045
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
4
-
-
0034336263
-
-
10.1103/RevModPhys.72.1041
-
T. L. Beck, Rev. Mod. Phys. 72, 1041 (2000). 10.1103/RevModPhys.72.1041
-
(2000)
Rev. Mod. Phys.
, vol.72
, pp. 1041
-
-
Beck, T.L.1
-
5
-
-
0034899553
-
-
10.1103/PhysRevB.63.245106
-
M. Heiskanen, T. Torsti, M. J. Puska, and R. M. Nieminen, Phys. Rev. B 63, 245106 (2001). 10.1103/PhysRevB.63.245106
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245106
-
-
Heiskanen, M.1
Torsti, T.2
Puska, M.J.3
Nieminen, R.M.4
-
6
-
-
0001360121
-
-
10.1103/PhysRevB.50.11355
-
J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11355 (1994). 10.1103/PhysRevB.50.11355
-
(1994)
Phys. Rev. B
, vol.50
, pp. 11355
-
-
Chelikowsky, J.R.1
Troullier, N.2
Wu, K.3
Saad, Y.4
-
8
-
-
33344472760
-
-
10.1103/PhysRevB.71.195422
-
S. V. Faleev, F. Léonard, D. A. Stewart, and M. van Schilfgaarde, Phys. Rev. B 71, 195422 (2005). 10.1103/PhysRevB.71.195422
-
(2005)
Phys. Rev. B
, vol.71
, pp. 195422
-
-
Faleev, S.V.1
Léonard, F.2
Stewart, D.A.3
Van Schilfgaarde, M.4
-
9
-
-
0037965958
-
-
10.1103/PhysRevLett.90.106801
-
J. J. Palacios, A. J. Pérez-Jiménez, E. Louis, E. SanFabián, and J. A. Vergés, Phys. Rev. Lett. 90, 106801 (2003). 10.1103/PhysRevLett.90.106801
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 106801
-
-
Palacios, J.J.1
Pérez-Jiménez, A.J.2
Louis, E.3
Sanfabián, E.4
Vergés, J.A.5
-
10
-
-
0037371714
-
-
10.1016/S0927-0256(02)00439-1
-
K. Stokbro, J. Taylor, M. Brandbyge, J. L. Mozos, and P. Ordejón, Comput. Mater. Sci. 27, 151 (2003). 10.1016/S0927-0256(02)00439-1
-
(2003)
Comput. Mater. Sci.
, vol.27
, pp. 151
-
-
Stokbro, K.1
Taylor, J.2
Brandbyge, M.3
Mozos, J.L.4
Ordejón, P.5
-
11
-
-
0000139628
-
-
10.1103/PhysRevB.64.235412
-
E. G. Emberly and G. Kirczenow, Phys. Rev. B 64, 235412 (2001). 10.1103/PhysRevB.64.235412
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235412
-
-
Emberly, E.G.1
Kirczenow, G.2
-
12
-
-
4243720937
-
-
10.1103/PhysRevB.63.245407
-
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001). 10.1103/PhysRevB.63.245407
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245407
-
-
Taylor, J.1
Guo, H.2
Wang, J.3
-
15
-
-
28644438656
-
-
10.1016/j.chemphys.2005.05.032
-
K. Thygesen and K. Jacobsen, Chem. Phys. 319, 111 (2005). 10.1016/j.chemphys.2005.05.032
-
(2005)
Chem. Phys.
, vol.319
, pp. 111
-
-
Thygesen, K.1
Jacobsen, K.2
-
19
-
-
0001299824
-
-
10.1103/PhysRevB.59.11936
-
S. Sanvito, C. J. Lambert, J. H. Jefferson, and A. M. Bratkovsky, Phys. Rev. B 59, 11936 (1999). 10.1103/PhysRevB.59.11936
-
(1999)
Phys. Rev. B
, vol.59
, pp. 11936
-
-
Sanvito, S.1
Lambert, C.J.2
Jefferson, J.H.3
Bratkovsky, A.M.4
-
21
-
-
1842738426
-
-
10.1016/j.cplett.2004.03.038
-
C. W. Bauschlicher, Jr., J. W. Lawson, A. Ricca, Y. Xue, and M. A. Ratner, Chem. Phys. Lett. 388, 427 (2004). 10.1016/j.cplett.2004.03.038
-
(2004)
Chem. Phys. Lett.
, vol.388
, pp. 427
-
-
Bauschlicher, Jr.C.W.1
Lawson, J.W.2
Ricca, A.3
Xue, Y.4
Ratner, M.A.5
-
22
-
-
41049083554
-
-
10.1063/1.2839275
-
M. Strange, I. S. Kristensen, K. S. Thygesen, and K. W. Jacobsen, J. Chem. Phys. 128, 114714 (2008). 10.1063/1.2839275
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 114714
-
-
Strange, M.1
Kristensen, I.S.2
Thygesen, K.S.3
Jacobsen, K.W.4
-
24
-
-
77954828268
-
-
10.1103/PhysRevB.81.045109
-
K. Varga, Phys. Rev. B 81, 045109 (2010). 10.1103/PhysRevB.81.045109
-
(2010)
Phys. Rev. B
, vol.81
, pp. 045109
-
-
Varga, K.1
-
25
-
-
38849132148
-
-
10.1063/1.2821023
-
M. Gusso, J. Chem. Phys. 128, 044102 (2008). 10.1063/1.2821023
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 044102
-
-
Gusso, M.1
-
26
-
-
0345455219
-
-
10.1103/PhysRevB.52.9354
-
J. S. Nelson, E. B. Stechel, A. F. Wright, S. J. Plimpton, P. A. Schultz, and M. P. Sears, Phys. Rev. B 52, 9354 (1995). 10.1103/PhysRevB.52.9354
-
(1995)
Phys. Rev. B
, vol.52
, pp. 9354
-
-
Nelson, J.S.1
Stechel, E.B.2
Wright, A.F.3
Plimpton, S.J.4
Schultz, P.A.5
Sears, M.P.6
-
28
-
-
42749105530
-
-
10.1103/PhysRevB.69.195113
-
T. Ozaki and H. Kino, Phys. Rev. B 69, 195113 (2004). 10.1103/PhysRevB.69.195113
-
(2004)
Phys. Rev. B
, vol.69
, pp. 195113
-
-
Ozaki, T.1
Kino, H.2
-
29
-
-
0035894201
-
-
10.1103/PhysRevB.64.235111
-
J. Junquera, O. Paz, D. Sánchez-Portal, and E. Artacho, Phys. Rev. B 64, 235111 (2001). 10.1103/PhysRevB.64.235111
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235111
-
-
Junquera, J.1
Paz, O.2
Sánchez-Portal, D.3
Artacho, E.4
-
30
-
-
70149102016
-
-
10.1016/j.cpc.2009.06.022
-
V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, Comput. Phys. Commun. 180, 2175 (2009). 10.1016/j.cpc.2009.06.022
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2175
-
-
Blum, V.1
Gehrke, R.2
Hanke, F.3
Havu, P.4
Havu, V.5
Ren, X.6
Reuter, K.7
Scheffler, M.8
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