-
2
-
-
0000338710
-
-
W. L. Brown, R. R. Freeman, K. Raghavachari, and M. Schluter, Science 235, 860 (1987).
-
(1987)
Science
, vol.235
, pp. 860
-
-
Brown, W.L.1
Freeman, R.R.2
Raghavachari, K.3
Schluter, M.4
-
6
-
-
0032499194
-
-
K. M. Ho, A. A. Shvartsburg, B. Pan, Z. Y. Lu, C. Z. Wang, J. G. Wacker, J. L. Fye, and M. F. Jarrold, Nature (London) 392, 582 (1998).
-
(1998)
Nature (London)
, vol.392
, pp. 582
-
-
Ho, K.M.1
Shvartsburg, A.A.2
Pan, B.3
Lu, Z.Y.4
Wang, C.Z.5
Wacker, J.G.6
Fye, J.L.7
Jarrold, M.F.8
-
7
-
-
0005906680
-
-
H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. 86, 1733 (2001); Vijay Kumar and Yoshiyuki Kawazoe, ibid. 87, 045503 (2001); Vijay Kumar and Yoshiyuki Kawazoe, Phys. Rev. B 65, 073404 (2002); J. Lu and S. Nagase, Phys. Rev. Lett. 90, 115506 (2003); Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, ibid. 90, 135503 (2003).
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 1733
-
-
Hiura, H.1
Miyazaki, T.2
Kanayama, T.3
-
8
-
-
0035939418
-
-
H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. 86, 1733 (2001); Vijay Kumar and Yoshiyuki Kawazoe, ibid. 87, 045503 (2001); Vijay Kumar and Yoshiyuki Kawazoe, Phys. Rev. B 65, 073404 (2002); J. Lu and S. Nagase, Phys. Rev. Lett. 90, 115506 (2003); Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, ibid. 90, 135503 (2003).
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 045503
-
-
Kumar, V.1
Kawazoe, Y.2
-
9
-
-
0037084629
-
-
H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. 86, 1733 (2001); Vijay Kumar and Yoshiyuki Kawazoe, ibid. 87, 045503 (2001); Vijay Kumar and Yoshiyuki Kawazoe, Phys. Rev. B 65, 073404 (2002); J. Lu and S. Nagase, Phys. Rev. Lett. 90, 115506 (2003); Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, ibid. 90, 135503 (2003).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 073404
-
-
Kumar, V.1
Kawazoe, Y.2
-
10
-
-
0038304187
-
-
H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. 86, 1733 (2001); Vijay Kumar and Yoshiyuki Kawazoe, ibid. 87, 045503 (2001); Vijay Kumar and Yoshiyuki Kawazoe, Phys. Rev. B 65, 073404 (2002); J. Lu and S. Nagase, Phys. Rev. Lett. 90, 115506 (2003); Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, ibid. 90, 135503 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 115506
-
-
Lu, J.1
Nagase, S.2
-
11
-
-
4243772125
-
-
H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. 86, 1733 (2001); Vijay Kumar and Yoshiyuki Kawazoe, ibid. 87, 045503 (2001); Vijay Kumar and Yoshiyuki Kawazoe, Phys. Rev. B 65, 073404 (2002); J. Lu and S. Nagase, Phys. Rev. Lett. 90, 115506 (2003); Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, ibid. 90, 135503 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 135503
-
-
Sun, Q.1
Wang, Q.2
Jena, P.3
Rao, B.K.4
Kawazoe, Y.5
-
13
-
-
0007790704
-
-
B. C. Guo, K. P. Kerns, and A. W. Castleman, Jr., Science 255, 1411 (1992).
-
(1992)
Science
, vol.255
, pp. 1411
-
-
Guo, B.C.1
Kerns, K.P.2
Castleman Jr., A.W.3
-
15
-
-
26144450583
-
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
16
-
-
1642340253
-
-
Copyright IBM Zurich Research Laboratory and MPI für Festkörperforschung
-
CPMD Version 3.5.3., J. Hutter et al., Copyright IBM Zurich Research Laboratory and MPI für Festkörperforschung.
-
CPMD Version 3.5.3.
-
-
Hutter, J.1
-
17
-
-
4243553426
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
18
-
-
0345491105
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
21
-
-
12844286241
-
-
G. Kresse and J. Hafner, Phys. Rev. B B 47, 558 (1993); G. Kresse and J. Furthmüller, ibid. 54, 11 169 (1996); G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994); G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
-
(1993)
Phys. Rev. B
, vol.B47
, pp. 558
-
-
Kresse, G.1
Hafner, J.2
-
22
-
-
2442537377
-
-
G. Kresse and J. Hafner, Phys. Rev. B B 47, 558 (1993); G. Kresse and J. Furthmüller, ibid. 54, 11 169 (1996); G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994); G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
-
(1996)
Phys. Rev. B
, vol.54
-
-
Kresse, G.1
Furthmüller, J.2
-
23
-
-
0030190741
-
-
G. Kresse and J. Hafner, Phys. Rev. B B 47, 558 (1993); G. Kresse and J. Furthmüller, ibid. 54, 11 169 (1996); G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994); G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15
-
-
Kresse, G.1
Furthmüller, J.2
-
24
-
-
0028763270
-
-
G. Kresse and J. Hafner, Phys. Rev. B B 47, 558 (1993); G. Kresse and J. Furthmüller, ibid. 54, 11 169 (1996); G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994); G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 8245
-
-
Kresse, G.1
Hafner, J.2
-
25
-
-
27744460065
-
-
G. Kresse and J. Hafner, Phys. Rev. B B 47, 558 (1993); G. Kresse and J. Furthmüller, ibid. 54, 11 169 (1996); G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994); G. Kresse and J. Hafner, Phys. Rev. B 49, 14 251 (1994).
-
(1994)
Phys. Rev. B
, vol.49
-
-
Kresse, G.1
Hafner, J.2
-
26
-
-
0003754095
-
-
edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin)
-
J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991).
-
(1991)
Electronic Structure of Solids '91
-
-
Perdew, J.P.1
-
27
-
-
84893169025
-
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993); A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
28
-
-
4243553426
-
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993); A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
29
-
-
0345491105
-
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993); A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
|