-
14
-
-
77956693284
-
-
submitted for publication
-
B.D. Yu and M. Scheffler, submitted for publication.
-
-
-
Yu, B.D.1
Scheffler, M.2
-
16
-
-
3943101429
-
-
Wen J.-M., Chang S.-L., Burnett J.W., Evans J.W., and Thiel P.A. Phys. Rev. Lett. 73 (1994) 2591
-
(1994)
Phys. Rev. Lett.
, vol.73
, pp. 2591
-
-
Wen, J.-M.1
Chang, S.-L.2
Burnett, J.W.3
Evans, J.W.4
Thiel, P.A.5
-
22
-
-
0004161155
-
-
Bortolani V., March N.H., and Tosi M.P. (Eds), Plenum Press, New York and London
-
Wahnström G. In: Bortolani V., March N.H., and Tosi M.P. (Eds). Interaction of Atoms and Molecules with Solid Surfaces (1990), Plenum Press, New York and London 529
-
(1990)
Interaction of Atoms and Molecules with Solid Surfaces
, pp. 529
-
-
Wahnström, G.1
-
25
-
-
0008200852
-
-
Scheffler M., and Zimmermann R. (Eds), World Scientific, Singapore
-
Kley A., and Scheffler M. In: Scheffler M., and Zimmermann R. (Eds). The Physics of Semiconductors (1996), World Scientific, Singapore 1031
-
(1996)
The Physics of Semiconductors
, pp. 1031
-
-
Kley, A.1
Scheffler, M.2
-
34
-
-
0000483456
-
-
Meyer J.A., Vrijmoeth J., van der Vegt H.A., Vlieg E., and Behm R.J. Phys. Rev. B 51 (1995) 14790
-
(1995)
Phys. Rev. B
, vol.51
, pp. 14790
-
-
Meyer, J.A.1
Vrijmoeth, J.2
van der Vegt, H.A.3
Vlieg, E.4
Behm, R.J.5
-
43
-
-
0642318943
-
-
MacDonald R.J., Taglauer E.C., and Wandelt K.R. (Eds), Springer, Berlin
-
Scheffler M., Fiorentini V., and Oppo S. In: MacDonald R.J., Taglauer E.C., and Wandelt K.R. (Eds). Surface Science: Principles and Current Applications (1996), Springer, Berlin 219
-
(1996)
Surface Science: Principles and Current Applications
, pp. 219
-
-
Scheffler, M.1
Fiorentini, V.2
Oppo, S.3
-
45
-
-
3342882885
-
-
Rosenfeld G., Servaty R., Teichert C., Poelsema B., and Comsa G. Phys. Rev. Lett. 71 (1993) 895
-
(1993)
Phys. Rev. Lett.
, vol.71
, pp. 895
-
-
Rosenfeld, G.1
Servaty, R.2
Teichert, C.3
Poelsema, B.4
Comsa, G.5
-
47
-
-
0001588058
-
-
van der Vegt H.A., Breeman M., Ferrer S., Etgens V.H., Torrelles X., Fajardo P., and Vlieg E. Phys. Rev. B 51 (1995) 14806
-
(1995)
Phys. Rev. B
, vol.51
, pp. 14806
-
-
van der Vegt, H.A.1
Breeman, M.2
Ferrer, S.3
Etgens, V.H.4
Torrelles, X.5
Fajardo, P.6
Vlieg, E.7
-
52
-
-
0002624884
-
-
Westbrook J.H., and Fleischer R.L. (Eds), John Wiley and Sons Ltd.
-
Voter A.F. In: Westbrook J.H., and Fleischer R.L. (Eds). Intermetallic Compounds vol. 1 (1994), John Wiley and Sons Ltd. 77
-
(1994)
Intermetallic Compounds
, vol.1
, pp. 77
-
-
Voter, A.F.1
-
73
-
-
0003398526
-
-
see for example, Springer Verlag, Berlin, Heidelberg, New York. We limit our discussion in this chapter to non-magnetic systems. However, it is straightforward to generalize DFT and to write the total-energy functional in terms of the electron density and the magnetization density
-
Dreizler R.M., and Gross E.K.U. see for example. Density Functional Theory (1990), Springer Verlag, Berlin, Heidelberg, New York. We limit our discussion in this chapter to non-magnetic systems. However, it is straightforward to generalize DFT and to write the total-energy functional in terms of the electron density and the magnetization density
-
(1990)
Density Functional Theory
-
-
Dreizler, R.M.1
Gross, E.K.U.2
-
74
-
-
77956705238
-
-
All equations are noted in Hartree atomic units, i.e. the unit of length is 1 Bohr=0.5292, the unit of energy is 1 Hartree=27.2116 eV, and ℏ=m=e=1.
-
All equations are noted in Hartree atomic units, i.e. the unit of length is 1 Bohr=0.5292, the unit of energy is 1 Hartree=27.2116 eV, and ℏ=m=e=1.
-
-
-
-
85
-
-
0002851019
-
-
Ziesche P., and Eschrig H. (Eds), Akademie Verlag, Berlin
-
Perdew J.P. In: Ziesche P., and Eschrig H. (Eds). Electronic Structure of Solids '91 (1991), Akademie Verlag, Berlin 11
-
(1991)
Electronic Structure of Solids '91
, pp. 11
-
-
Perdew, J.P.1
-
86
-
-
23244460838
-
-
Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
-
(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
-
97
-
-
0002319783
-
-
Springer Verlag, Berlin, Heidelberg, New York
-
Ernzerhof M., Perdew J.P., and Burke K. Topics in Current Chemistry 180 (1996), Springer Verlag, Berlin, Heidelberg, New York 1
-
(1996)
Topics in Current Chemistry
, vol.180
, pp. 1
-
-
Ernzerhof, M.1
Perdew, J.P.2
Burke, K.3
-
107
-
-
0026171650
-
-
Scheffler M., Droste C., Fleszar A., Maca F., Wachutka G., and Barzel G. Physica 172 (1991) 143
-
(1991)
Physica
, vol.172
, pp. 143
-
-
Scheffler, M.1
Droste, C.2
Fleszar, A.3
Maca, F.4
Wachutka, G.5
Barzel, G.6
-
108
-
-
0029706367
-
-
A review on the cluster method is given in
-
A review on the cluster method is given in. Witten J.L., and Yang H. Surf. Sci. Rep. 24 (1996) 55
-
(1996)
Surf. Sci. Rep.
, vol.24
, pp. 55
-
-
Witten, J.L.1
Yang, H.2
-
120
-
-
11944256577
-
-
Payne M.C., Teter M.P., Allan D.C., Arias T.A., and Joannopoulos D.J. 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, D.J.5
-
121
-
-
0030107348
-
-
Kohler B., Wilke S., Scheffler M., Kouba R., and Ambrosch-Draxl C. Comput. Phys. Commun. 94 (1996) 31-48
-
(1996)
Comput. Phys. Commun.
, vol.94
, pp. 31-48
-
-
Kohler, B.1
Wilke, S.2
Scheffler, M.3
Kouba, R.4
Ambrosch-Draxl, C.5
-
127
-
-
5744249209
-
-
Metropolis M., Rosenbluth A.W., Rosenbluth M.N., Teller A.N., and Teller E. J. Chem. Phys. 21 (1953) 1087
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087
-
-
Metropolis, M.1
Rosenbluth, A.W.2
Rosenbluth, M.N.3
Teller, A.N.4
Teller, E.5
-
136
-
-
0009466250
-
-
Clarke S., Wilby M.R., Vvedensky D.D., Kawamura T., Miki K., and Tokumoto H. Phys. Rev. B 41 (1990) 10198
-
(1990)
Phys. Rev. B
, vol.41
, pp. 10198
-
-
Clarke, S.1
Wilby, M.R.2
Vvedensky, D.D.3
Kawamura, T.4
Miki, K.5
Tokumoto, H.6
-
137
-
-
0000143169
-
-
Shitara T., Vvedensky D.D., Wilby M.R., Zhang J., Neave J.H., and Joyce B.A. Phys. Rev. B 46 (1992) 6815
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6815
-
-
Shitara, T.1
Vvedensky, D.D.2
Wilby, M.R.3
Zhang, J.4
Neave, J.H.5
Joyce, B.A.6
-
138
-
-
33749530595
-
-
Shitara T., Vvedensky D.D., Wilby M.R., Zhang J., Neave J.H., and Joyce B.A. Phys. Rev. B 46 (1992) 6825
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6825
-
-
Shitara, T.1
Vvedensky, D.D.2
Wilby, M.R.3
Zhang, J.4
Neave, J.H.5
Joyce, B.A.6
-
148
-
-
35949005721
-
-
Brune H., Bromann K., Röder H., Kern K., Jacobsen J., Stolze P., Jacobsen K.W., and Nørskov J. Phys. Rev. B 52 (1995) R14380
-
(1995)
Phys. Rev. B
, vol.52
-
-
Brune, H.1
Bromann, K.2
Röder, H.3
Kern, K.4
Jacobsen, J.5
Stolze, P.6
Jacobsen, K.W.7
Nørskov, J.8
-
151
-
-
4244067118
-
-
van der Vegt H.A., van Pinxteren H.M., Lohmeier M., Vlieg E., and Thornton J.M.C. Phys. Rev. Lett. 68 (1992) 3335
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 3335
-
-
van der Vegt, H.A.1
van Pinxteren, H.M.2
Lohmeier, M.3
Vlieg, E.4
Thornton, J.M.C.5
-
161
-
-
0040482250
-
-
Röder H., Hahn E., Brune H., Bucher J.-P., and Kern K. Nature 366 (1993) 141
-
(1993)
Nature
, vol.366
, pp. 141
-
-
Röder, H.1
Hahn, E.2
Brune, H.3
Bucher, J.-P.4
Kern, K.5
-
166
-
-
0347691909
-
-
Vrijmoeth J., van der Vegt H.A., Meyer J.A., Vlieg E., and Behm R.J. Phys. Rev. Lett. 72 (1994) 3843
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 3843
-
-
Vrijmoeth, J.1
van der Vegt, H.A.2
Meyer, J.A.3
Vlieg, E.4
Behm, R.J.5
-
171
-
-
77956686404
-
-
in press
-
C.-M. Zhang, M.C. Bartelt, J.-M. Wen, C.J. Jenks, J.W. Evans, and P.A. Thiel, J. Crystal Growth, in press.
-
J. Crystal Growth
-
-
Zhang, C.-M.1
Bartelt, M.C.2
Wen, J.-M.3
Jenks, C.J.4
Evans, J.W.5
Thiel, P.A.6
|