-
1
-
-
10644250257
-
-
PRVBAK 0096-8269 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
PRVAAH 0096-8250 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
3
-
-
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
-
4
-
-
26144450583
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
7
-
-
0001161603
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
-
L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425
-
-
Kleinman, L.1
Bylander, D.M.2
-
8
-
-
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
-
9
-
-
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
-
11
-
-
11944256577
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.64.1045
-
M. Payne, M. Teter, D. Allan, T. Arias, and J. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.1
Teter, M.2
Allan, D.3
Arias, T.4
Joannopoulos, J.5
-
12
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
13
-
-
25544466524
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.30.6118
-
D. Vanderbilt and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.30.6118 30, 6118 (1984).
-
(1984)
Phys. Rev. B
, vol.30
, pp. 6118
-
-
Vanderbilt, D.1
Louie, S.G.2
-
14
-
-
0034339303
-
-
PSSBBD 0370-1972 10.1002/(SICI)1521-3951(200001)217:1<131::AID- PSSB131>3.0.CO;2-M
-
P. Briddon and R. Jones, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/(SICI)1521-3951(200001)217:1<131::AID-PSSB131>3.0.CO;2-M 217, 131 (2000).
-
(2000)
Phys. Status Solidi B
, vol.217
, pp. 131
-
-
Briddon, P.1
Jones, R.2
-
16
-
-
19744381066
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.93.176403
-
K. Varga, Z. Zhang, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.176403 93, 176403 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 176403
-
-
Varga, K.1
Zhang, Z.2
Pantelides, S.T.3
-
17
-
-
0000801113
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.38.10578
-
P. Krüger and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.10578 38, 10578 (1988).
-
(1988)
Phys. Rev. B
, vol.38
, pp. 10578
-
-
Krüger, P.1
Pollmann, J.2
-
18
-
-
0000874889
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.53.13121
-
M. Sabisch, P. Krüger, A. Mazur, M. Rohlfing, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.13121 53, 13121 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 13121
-
-
Sabisch, M.1
Krüger, P.2
Mazur, A.3
Rohlfing, M.4
Pollmann, J.5
-
19
-
-
0000105324
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.81.2292
-
W. Lu, P. Krüger, and J. Pollmann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.2292 81, 2292 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 2292
-
-
Lu, W.1
Krüger, P.2
Pollmann, J.3
-
20
-
-
33644804108
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.115309
-
J. Wieferink, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.115309 73, 115309 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 115309
-
-
Wieferink, J.1
Krüger, P.2
Pollmann, J.3
-
23
-
-
15344345714
-
-
CPHCBZ 0010-4655
-
J. VandeVondele, M. Krack, F. Mohamed, M. Parrinello, T. Chassaing, and J. Hutter, Comput. Phys. Commun. CPHCBZ 0010-4655 167, 103 (2005), and references therein, especially Refs..
-
(2005)
Comput. Phys. Commun.
, vol.167
, pp. 103
-
-
Vandevondele, J.1
Krack, M.2
Mohamed, F.3
Parrinello, M.4
Chassaing, T.5
Hutter, J.6
-
24
-
-
0033246389
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.71.1085
-
S. Goedecker, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.71.1085 71, 1085 (1999).
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1085
-
-
Goedecker, S.1
-
25
-
-
0032535954
-
-
SCIEAS 0036-8075 10.1126/science.279.5349.335
-
J. T. Yates, Science SCIEAS 0036-8075 10.1126/science.279.5349.335 279, 335 (1998).
-
(1998)
Science
, vol.279
, pp. 335
-
-
Yates, J.T.1
-
26
-
-
0001015352
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.60.2495
-
W. Lu, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.2495 60, 2495 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 2495
-
-
Lu, W.1
Krüger, P.2
Pollmann, J.3
-
27
-
-
0032070609
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.4269
-
W. Widdra, A. Fink, S. Gokhale, P. Trischberger, D. Menzel, U. Birkenheuer, U. Gutdeutsch, and N. Rösch, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4269 80, 4269 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 4269
-
-
Widdra, W.1
Fink, A.2
Gokhale, S.3
Trischberger, P.4
Menzel, D.5
Birkenheuer, U.6
Gutdeutsch, U.7
Rösch, N.8
-
28
-
-
0001627124
-
-
JCPSA6 0021-9606 10.1063/1.476425
-
U. Birkenheuer, U. Gutdeutsch, N. Rösch, A. Fink, S. Gokhale, D. Menzel, P. Trischberger, and W. Widdra, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476425 108, 9868 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 9868
-
-
Birkenheuer, U.1
Gutdeutsch, U.2
Rösch, N.3
Fink, A.4
Gokhale, S.5
Menzel, D.6
Trischberger, P.7
Widdra, W.8
-
29
-
-
33750872867
-
-
Universität Münster
-
J. Wieferink, diploma thesis, Universität Münster, 2005.
-
(2005)
-
-
Wieferink, J.1
-
31
-
-
0001572490
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.5495
-
D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 5495
-
-
Vogel, D.1
Krüger, P.2
Pollmann, J.3
-
32
-
-
33750868827
-
-
Ph.D. thesis, Universität Münster
-
M. Rohlfing, Ph.D. thesis, Universität Münster, 1996.
-
(1996)
-
-
Rohlfing, M.1
-
33
-
-
1842816907
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
-
H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
34
-
-
0001671053
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.51.13367
-
M. Sabisch, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.13367 51, 13367 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 13367
-
-
Sabisch, M.1
Krüger, P.2
Pollmann, J.3
-
35
-
-
4244217973
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.11692
-
F. Gygi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.11692 48, 11692 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 11692
-
-
Gygi, F.1
-
36
-
-
84890021933
-
-
MOPHAM 0026-8976 10.1080/00268977000101561
-
S. F. Boys and F. Bernardi, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977000101561 19, 553 (1970).
-
(1970)
Mol. Phys.
, vol.19
, pp. 553
-
-
Boys, S.F.1
Bernardi, F.2
-
37
-
-
0001246313
-
-
CHREAY 0009-2665 10.1021/cr00031a007
-
F. B. van Duijneveldt, J. G. C. M. van Duijneveldt-van de Rijdt, and J. H. van Lenthe, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr00031a007 94, 1873 (1994).
-
(1994)
Chem. Rev. (Washington, D.C.)
, vol.94
, pp. 1873
-
-
Van Duijneveldt, F.B.1
Van Duijneveldt-Van De Rijdt, J.G.C.M.2
Van Lenthe, J.H.3
-
38
-
-
0031533326
-
-
PSSBBD 0370-1972 10.1002/1521-3951(199707)202:1<447::AID-PSSB447>3. 0.CO;2-I
-
V. M. Bermudez, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521-3951(199707)202:1<447::AID-PSSB447>3.0.CO;2-I 202, 447 (1997).
-
(1997)
Phys. Status Solidi B
, vol.202
, pp. 447
-
-
Bermudez, V.M.1
-
39
-
-
0005675906
-
-
JVTBD9 0734-211X 10.1116/1.590174
-
U. Rossow, K. Lindner, M. Lübbe, D. E. Aspnes, and D. R. T. Zahn, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.590174 16, 2355 (1998).
-
(1998)
J. Vac. Sci. Technol. B
, vol.16
, pp. 2355
-
-
Rossow, U.1
Lindner, K.2
Lübbe, M.3
Aspnes, D.E.4
Zahn, D.R.T.5
-
40
-
-
0034316813
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.85.4381
-
W. Lu, W. G. Schmidt, E. L. Briggs, and J. Bernholc, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.4381 85, 4381 (2000).
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 4381
-
-
Lu, W.1
Schmidt, W.G.2
Briggs, E.L.3
Bernholc, J.4
-
41
-
-
2442645503
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.165321
-
M. D'angelo, H. Enriquez, V. Y. Aristov, P. Soukiassian, G. Renaud, A. Barbier, M. Noblet, S. Chiang, and F. Semond, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.165321 68, 165321 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 165321
-
-
D'Angelo, M.1
Enriquez, H.2
Aristov, V.Y.3
Soukiassian, P.4
Renaud, G.5
Barbier, A.6
Noblet, M.7
Chiang, S.8
Semond, F.9
-
42
-
-
42749106528
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.70.045317
-
A. Tejeda, D. Dunham, F. J. GarciadeAbajo, J. D. Denlinger, E. Rotenberg, E. G. Michel, and P. Soukiassian, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.045317 70, 045317 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 045317
-
-
Tejeda, A.1
Dunham, D.2
Garciadeabajo, F.J.3
Denlinger, J.D.4
Rotenberg, E.5
Michel, E.G.6
Soukiassian, P.7
-
43
-
-
0001000018
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.61.2680
-
W. Lu, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.2680 61, 2680 (2000).
-
(2000)
Phys. Rev. B
, vol.61
, pp. 2680
-
-
Lu, W.1
Krüger, P.2
Pollmann, J.3
-
44
-
-
2442495342
-
-
JCOMEL 0953-8984 10.1088/0953-8984/16/17/012
-
J. Pollmann and P. Krüger, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/17/012 16, 1659 (2004).
-
(2004)
J. Phys.: Condens. Matter
, vol.16
, pp. 1659
-
-
Pollmann, J.1
Krüger, P.2
-
45
-
-
33244476721
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.035327
-
P. Krüger and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.035327 73, 035327 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 035327
-
-
Krüger, P.1
Pollmann, J.2
|