-
8
-
-
11944256577
-
-
M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 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
-
9
-
-
0031362068
-
-
M. Bockstedte, A. Kley, J. Neugebauer, M. Scheffler, Comput. Phys. Commun. 107 (1997) 187.
-
(1997)
Comput. Phys. Commun.
, vol.107
, pp. 187
-
-
Bockstedte, M.1
Kley, A.2
Neugebauer, J.3
Scheffler, M.4
-
10
-
-
0000065768
-
-
N. Moll, M. Bockstedte, M. Fuchs, E. Pehlke, M. Scheffler, Phys. Rev. B 52 (1995) 2550.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 2550
-
-
Moll, N.1
Bockstedte, M.2
Fuchs, M.3
Pehlke, E.4
Scheffler, M.5
-
13
-
-
0000205239
-
-
G. Schwarz, A. Kley, J. Neugebauer, M. Scheffler, Phys. Rev. B 58 (1998) 1392.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 1392
-
-
Schwarz, G.1
Kley, A.2
Neugebauer, J.3
Scheffler, M.4
-
15
-
-
0001748406
-
-
N. Moll, A. Kley, E. Pehlke, M. Scheffler, Phys. Rev. B 54 (1996) 8844.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 8844
-
-
Moll, N.1
Kley, A.2
Pehlke, E.3
Scheffler, M.4
-
17
-
-
4243805155
-
-
L. Lottermoser, E. Landemark, D.M. Smilgies, M. Nielsen, R. Feidenhansl, G. Falkenberg, R.L. Johnson, M.gierer, A.P. Seitsonen, H. Kleine, H. Bludau, H. Over, S.K. Kim, F. Jona, Phys. Rev. Lett. 80 (1998) 3980.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 3980
-
-
Lottermoser, L.1
Landemark, E.2
Smilgies, D.M.3
Nielsen, M.4
Feidenhansl, R.5
Falkenberg, G.6
Johnson, R.L.7
Seitsonen, A.P.8
Kleine, H.9
Bludau, H.10
Over, H.11
Kim, S.K.12
Jona, F.13
-
21
-
-
0001557329
-
-
G. Boisvert, L.J. Lewis, M. Scheffler, Phys. Rev. B 57 (1998) 1881; G. Boisvert, L.J. Lewis, Phys. Rev. B 56 (1997) 7643.
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1881
-
-
Boisvert, G.1
Lewis, L.J.2
Scheffler, M.3
-
22
-
-
0000359090
-
-
G. Boisvert, L.J. Lewis, M. Scheffler, Phys. Rev. B 57 (1998) 1881; G. Boisvert, L.J. Lewis, Phys. Rev. B 56 (1997) 7643.
-
(1997)
Phys. Rev. B
, vol.56
, pp. 7643
-
-
Boisvert, G.1
Lewis, L.J.2
-
25
-
-
0031584665
-
-
S. Schwegmann, A.P. Seitsonen, H. Dietrich, H. Bludau, H. Over, K. Jacobi, G. Ertl, Chem. Phys. Lett. 264 (1996) 680.
-
(1996)
Chem. Phys. Lett.
, vol.264
, pp. 680
-
-
Schwegmann, S.1
Seitsonen, A.P.2
Dietrich, H.3
Bludau, H.4
Over, H.5
Jacobi, K.6
Ertl, G.7
-
26
-
-
0000967211
-
-
C. Stampfl, M. Scheffler, Phys. Rev. Lett. 78 (1997) 1500; C. Stampfl, S. Schwegmann, H. Over, M. Scheffler, G. Ertl, Phys. Rev. Lett. 77 (1996) 3371.
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1500
-
-
Stampfl, C.1
Scheffler, M.2
-
27
-
-
0000121915
-
-
C. Stampfl, M. Scheffler, Phys. Rev. Lett. 78 (1997) 1500; C. Stampfl, S. Schwegmann, H. Over, M. Scheffler, G. Ertl, Phys. Rev. Lett. 77 (1996) 3371.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3371
-
-
Stampfl, C.1
Schwegmann, S.2
Over, H.3
Scheffler, M.4
Ertl, G.5
-
31
-
-
2842565972
-
-
J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54 (1996) 16533; J.P. Perdew, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671 ;
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
32
-
-
23244460838
-
-
J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54 (1996) 16533; J.P. Perdew, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671 ;
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Jackson, K.A.2
Pederson, M.R.3
Singh, D.J.4
Fiolhais, C.5
-
35
-
-
4043083704
-
-
J.P. Perdew, Phys. Rev. B 33 (1986) 8822; B 34 (1986) 7406.
-
(1986)
Phys. Rev. B
, vol.34
, pp. 7406
-
-
-
44
-
-
0003565309
-
-
H. Ehrenreich, F. Seitz, D. Turnbull, eds. Academic, New York
-
M.L. Cohen, V. Heine, in: Solid State Physics, H. Ehrenreich, F. Seitz, D. Turnbull, eds. (Academic, New York, 1970).
-
(1970)
Solid State Physics
-
-
Cohen, M.L.1
Heine, V.2
-
45
-
-
0009720272
-
-
J. Neugebauer, T. Zywietz, M. Scheffler, J.E. Northrup, Ch.G. Van de Walle, Phys. Rev. Lett. 80 (1998) 3097; V. Fiorentini, M. Methfessel, M. Scheffler, Phys. Rev. B 47 (1993) 13353.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 3097
-
-
Neugebauer, J.1
Zywietz, T.2
Scheffler, M.3
Northrup, J.E.4
Van De Walle, Ch.G.5
-
46
-
-
33746848860
-
-
J. Neugebauer, T. Zywietz, M. Scheffler, J.E. Northrup, Ch.G. Van de Walle, Phys. Rev. Lett. 80 (1998) 3097; V. Fiorentini, M. Methfessel, M. Scheffler, Phys. Rev. B 47 (1993) 13353.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 13353
-
-
Fiorentini, V.1
Methfessel, M.2
Scheffler, M.3
-
48
-
-
0002440187
-
-
S. Kotochigova, Z. Levine, E. Shirley, M. Stiles, C. Clark, Phys. Rev. A 55 (1997) 191; A 56 (1997) 5191; see also the WWW URL http://math.nist.gov/DFTdata/.
-
(1997)
Phys. Rev. A
, vol.55
, pp. 191
-
-
Kotochigova, S.1
Levine, Z.2
Shirley, E.3
Stiles, M.4
Clark, C.5
-
49
-
-
0002440187
-
-
S. Kotochigova, Z. Levine, E. Shirley, M. Stiles, C. Clark, Phys. Rev. A 55 (1997) 191; A 56 (1997) 5191; see also the WWW URL http://math.nist.gov/DFTdata/.
-
(1997)
, vol.56
, pp. 5191
-
-
-
55
-
-
33645821085
-
-
E.P. Wigner, Phys. Rev. 46 (1934) 1002; see also R.M. Dreizler, E.K.U. Gross, Density Functional Theory (Springer, Berlin, 1990).
-
(1934)
Phys. Rev.
, vol.46
, pp. 1002
-
-
Wigner, E.P.1
-
57
-
-
0000307223
-
-
M. Fuchs, M. Bockstedte, E. Pehlke, M. Scheffler, Phys. Rev. B 57 (1998) 2134.
-
(1998)
Phys. Rev. B
, vol.57
, pp. 2134
-
-
Fuchs, M.1
Bockstedte, M.2
Pehlke, E.3
Scheffler, M.4
-
62
-
-
0001351922
-
-
A. Filippetti, D. Vanderbilt, W. Zhong, Y. Cai, G.B. Bachelet, Phys. Rev. B 52 (1995) 11793.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 11793
-
-
Filippetti, A.1
Vanderbilt, D.2
Zhong, W.3
Cai, Y.4
Bachelet, G.B.5
-
63
-
-
0000824211
-
-
A.M. Rappe, K.M. Raabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41 (1990) 1227; J.S. Lin, A. Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174; G. Kresse, J. Hafner, J. Phys. Cond. Mat. 6 (1994) 824
-
(1990)
Phys. Rev. B
, vol.41
, pp. 1227
-
-
Rappe, A.M.1
Raabe, K.M.2
Kaxiras, E.3
Joannopoulos, J.D.4
-
64
-
-
0001139472
-
-
A.M. Rappe, K.M. Raabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41 (1990) 1227; J.S. Lin, A. Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174; G. Kresse, J. Hafner, J. Phys. Cond. Mat. 6 (1994) 824
-
(1993)
Phys. Rev. B
, vol.47
, pp. 4174
-
-
Lin, J.S.1
Qteish, A.2
Payne, M.C.3
Heine, V.4
-
65
-
-
0000824211
-
-
A.M. Rappe, K.M. Raabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41 (1990) 1227; J.S. Lin, A. Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174; G. Kresse, J. Hafner, J. Phys. Cond. Mat. 6 (1994) 824
-
(1994)
J. Phys. Cond. Mat.
, vol.6
, pp. 824
-
-
Kresse, G.1
Hafner, J.2
-
66
-
-
0000487379
-
-
L. Kleinman, Phys. Rev. B 21 (1980) 2630; H.S. Greenside, M. Schlüter, Phys. Rev. B 28 (1983) 535.
-
(1980)
Phys. Rev. B
, vol.21
, pp. 2630
-
-
Kleinman, L.1
-
71
-
-
0000140599
-
-
E. Engel, S. Keller, R.M. Dreizler, Phys. Rev. A 53 (1996) 1367; Phys. Rev. B 53 (1996) 4615.
-
(1996)
Phys. Rev. B
, vol.53
, pp. 4615
-
-
-
73
-
-
0001358577
-
-
P.E. Blöchl, Phys. Rev. B 41 (1990) 5414; D. Vanderbilt, Phys. Rev. B 41 ( 1990) 7892; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Phys. Rev. B 47 (1993) 10142.
-
(1990)
Phys. Rev. B
, vol.41
, pp. 5414
-
-
Blöchl, P.E.1
-
74
-
-
20544463457
-
-
P.E. Blöchl, Phys. Rev. B 41 (1990) 5414; D. Vanderbilt, Phys. Rev. B 41 ( 1990) 7892; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Phys. Rev. B 47 (1993) 10142.
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
75
-
-
34247648401
-
-
P.E. Blöchl, Phys. Rev. B 41 (1990) 5414; D. Vanderbilt, Phys. Rev. B 41 ( 1990) 7892; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Phys. Rev. B 47 (1993) 10142.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 10142
-
-
Laasonen, K.1
Pasquarello, A.2
Car, R.3
Lee, C.4
Vanderbilt, D.5
-
78
-
-
85031622068
-
ACE/gr user's manual
-
Oregon Graduate Institute of Science and Technology, Beaverton
-
P.J. Turner, ACE/gr user's manual, in: Software Documentation Series, SDS3, 91-3 (Oregon Graduate Institute of Science and Technology, Beaverton, 1992); see also the WWW URL http://plasma-gate.weizmann.ac.il/Xmgr.
-
(1992)
Software Documentation Series, SDS3
, vol.91
, Issue.3
-
-
Turner, P.J.1
|