-
2
-
-
12044256884
-
-
M. F. Jarrold, Science 252, 1085 (1991); J. M. Alford R. T. Laaksonen, and R. E. Smalley, J. Chem. Phys. 94, 2618 (1990).
-
(1991)
Science
, vol.252
, pp. 1085
-
-
Jarrold, M.F.1
-
3
-
-
0041520777
-
-
M. F. Jarrold, Science 252, 1085 (1991); J. M. Alford R. T. Laaksonen, and R. E. Smalley, J. Chem. Phys. 94, 2618 (1990).
-
(1990)
J. Chem. Phys.
, vol.94
, pp. 2618
-
-
Alford, J.M.1
Laaksonen, R.T.2
Smalley, R.E.3
-
5
-
-
0027908741
-
-
E. C. Honea, A. Ogura, C. A. Murray, K. Raghavachari, W. O. Sprenger, M. F. Jarrold, and W. L. Brown, Nature 366, 42 (1993).
-
(1993)
Nature
, vol.366
, pp. 42
-
-
Honea, E.C.1
Ogura, A.2
Murray, C.A.3
Raghavachari, K.4
Sprenger, W.O.5
Jarrold, M.F.6
Brown, W.L.7
-
6
-
-
0001507333
-
-
O. Cheshnovsky, S. H. Yang, C. L. Pettiette, M. J. Craycraft, Y. Liu, and R. E. Smalley, Chem. Phys. Lett. 138, 119 (1987).
-
(1987)
Chem. Phys. Lett.
, vol.138
, pp. 119
-
-
Cheshnovsky, O.1
Yang, S.H.2
Pettiette, C.L.3
Craycraft, M.J.4
Liu, Y.5
Smalley, R.E.6
-
10
-
-
36549095347
-
-
K. Raghavachari and V. Logovinsky, Phys. Rev. Lett. 55, 2853 (1985); K. Raghavachari, J. Chem. Phys. 84, 5672 (1986).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 5672
-
-
Raghavachari, K.1
-
13
-
-
4644320926
-
-
N. Binggeli and J. R. Chelikowsky, Phys. Rev. B 50, 11764 (1994); N. Binggeli, J. L. Martins, and J. R. Chelikowsky, Phys. Rev. Lett. 68, 2956 (1992).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 11764
-
-
Binggeli, N.1
Chelikowsky, J.R.2
-
14
-
-
0000251303
-
-
N. Binggeli and J. R. Chelikowsky, Phys. Rev. B 50, 11764 (1994); N. Binggeli, J. L. Martins, and J. R. Chelikowsky, Phys. Rev. Lett. 68, 2956 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 2956
-
-
Binggeli, N.1
Martins, J.L.2
Chelikowsky, J.R.3
-
15
-
-
3442901689
-
-
P. Ballone and W. Andreoni, R. Car, and M. Parrinello, Phys. Rev. Lett. 60, 271 (1988).
-
(1988)
Phys. Rev. Lett.
, vol.60
, pp. 271
-
-
Ballone, P.1
Andreoni, W.2
Car, R.3
Parrinello, M.4
-
17
-
-
0001946865
-
Ab initio Pseudopotentials for Semiconductors
-
Editor: Peter Landsberg, Elsevier
-
J. R. Chelikowsky, and M. L. Cohen: "Ab initio Pseudopotentials for Semiconductors," Handbook on Semiconductors, Editor: Peter Landsberg, (Elsevier, 1992), Vol. 1, p. 59.
-
(1992)
Handbook on Semiconductors
, vol.1
, pp. 59
-
-
Chelikowsky, J.R.1
Cohen, M.L.2
-
18
-
-
4243606192
-
-
D. Hohl, R. O. Jones, R. Car, and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); J. Chem. Phys. 89, 6823 (1988).
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Hohl, D.1
Jones, R.O.2
Car, R.3
Parrinello, M.4
-
19
-
-
0041604593
-
-
D. Hohl, R. O. Jones, R. Car, and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); J. Chem. Phys. 89, 6823 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 6823
-
-
-
26
-
-
0642269431
-
-
Examples of Langevin dynamics can be found in S. A. Adelman, and B. J. Garrison, J. Chem. Phys. 65, 3751 (1976); J. D. Doll, and D. R. Dion, J. Chem. Phys. 65, 3762 (1976); J. C. Tully, George H. Gilmer, and M. Shugard, J. Chem. Phys. 71, 1630 (1979), and references therein.
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 3751
-
-
Adelman, S.A.1
Garrison, B.J.2
-
27
-
-
1542469206
-
-
Examples of Langevin dynamics can be found in S. A. Adelman, and B. J. Garrison, J. Chem. Phys. 65, 3751 (1976); J. D. Doll, and D. R. Dion, J. Chem. Phys. 65, 3762 (1976); J. C. Tully, George H. Gilmer, and M. Shugard, J. Chem. Phys. 71, 1630 (1979), and references therein.
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 3762
-
-
Doll, J.D.1
Dion, D.R.2
-
28
-
-
0010273205
-
-
and references therein
-
Examples of Langevin dynamics can be found in S. A. Adelman, and B. J. Garrison, J. Chem. Phys. 65, 3751 (1976); J. D. Doll, and D. R. Dion, J. Chem. Phys. 65, 3762 (1976); J. C. Tully, George H. Gilmer, and M. Shugard, J. Chem. Phys. 71, 1630 (1979), and references therein.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 1630
-
-
Tully, J.C.1
Gilmer, G.H.2
Shugard, M.3
-
30
-
-
84943502952
-
-
S. Nosé, Mol. Phys. 52, 255 (1984); W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
-
(1984)
Mol. Phys.
, vol.52
, pp. 255
-
-
Nosé, S.1
-
31
-
-
0001538909
-
-
S. Nosé, Mol. Phys. 52, 255 (1984); W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
33
-
-
10644250257
-
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
34
-
-
0042113153
-
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
40
-
-
3843133047
-
-
J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994), J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11355 (1994), X. Jing, N. Troullier, D. Dean, N. Binggeli, J. R. Chelikowsky, K. Wu, and Y. Saad, Phys. Rev. B 50, 12234 (1994).
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 1240
-
-
Chelikowsky, J.R.1
Troullier, N.2
Saad, Y.3
-
41
-
-
0001360121
-
-
J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994), J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11355 (1994), X. Jing, N. Troullier, D. Dean, N. Binggeli, J. R. Chelikowsky, K. Wu, and Y. Saad, Phys. Rev. B 50, 12234 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 11355
-
-
Chelikowsky, J.R.1
Troullier, N.2
Wu, K.3
Saad, Y.4
-
42
-
-
0000196211
-
-
J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994), J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11355 (1994), X. Jing, N. Troullier, D. Dean, N. Binggeli, J. R. Chelikowsky, K. Wu, and Y. Saad, Phys. Rev. B 50, 12234 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 12234
-
-
Jing, X.1
Troullier, N.2
Dean, D.3
Binggeli, N.4
Chelikowsky, J.R.5
Wu, K.6
Saad, Y.7
-
43
-
-
5244283812
-
-
C. G. Van de Walle, P. J. H. Denteneer, Y. Bar-Yam, and S. T. Pantelides, Phys. Rev. B 39, 10791 (1989); S. Froyen and A. Zunger, Phys. Rev. B 34, 7451 (1986).
-
(1989)
Phys. Rev. B
, vol.39
, pp. 10791
-
-
Van De Walle, C.G.1
Denteneer, P.J.H.2
Bar-Yam, Y.3
Pantelides, S.T.4
-
44
-
-
2842607379
-
-
C. G. Van de Walle, P. J. H. Denteneer, Y. Bar-Yam, and S. T. Pantelides, Phys. Rev. B 39, 10791 (1989); S. Froyen and A. Zunger, Phys. Rev. B 34, 7451 (1986).
-
(1986)
Phys. Rev. B
, vol.34
, pp. 7451
-
-
Froyen, S.1
Zunger, A.2
-
48
-
-
0000736726
-
-
C. L. Fu and K. M. Ho, Phys. Rev. B 28, 5480 (1983); C. Elsässer, M. Fähnle, C. T. Chan, and K. M. Ho, Phys. Rev. B 49, 13975 (1994).
-
(1983)
Phys. Rev. B
, vol.28
, pp. 5480
-
-
Fu, C.L.1
Ho, K.M.2
-
49
-
-
0000162922
-
-
C. L. Fu and K. M. Ho, Phys. Rev. B 28, 5480 (1983); C. Elsässer, M. Fähnle, C. T. Chan, and K. M. Ho, Phys. Rev. B 49, 13975 (1994).
-
(1994)
Phys. Rev. B
, vol.49
, pp. 13975
-
-
Elsässer, C.1
Fähnle, M.2
Chan, C.T.3
Ho, K.M.4
|