-
1
-
-
0343887133
-
-
K. B. Whaley, Int. Rev. Phys. Chem. 13, 41 (1994); R. N. Barnett and K. B. Whaley, Z. Phys. D 31, 75 (1994).
-
(1994)
Int. Rev. Phys. Chem.
, vol.13
, pp. 41
-
-
Whaley, K.B.1
-
4
-
-
21744440801
-
-
M. V. Rama Krishna and K. B. Whaley, Z. Phys. D 20, 223 (1991); M. A. McMahon and K. B. Whaley, Chem. Phys. 182, 119 (1994).
-
(1994)
Chem. Phys.
, vol.182
, pp. 119
-
-
McMahon, M.A.1
Whaley, K.B.2
-
5
-
-
0000337539
-
-
D. Scharf, G. J. Martyna, and M. L. Klein, Chem. Phys. Lett. 197, 231 (1992); J. Chem. Phys. 97, 3590 (1992).
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 231
-
-
Scharf, D.1
Martyna, G.J.2
Klein, M.L.3
-
6
-
-
0000641053
-
-
D. Scharf, G. J. Martyna, and M. L. Klein, Chem. Phys. Lett. 197, 231 (1992); J. Chem. Phys. 97, 3590 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 3590
-
-
-
8
-
-
35949017326
-
-
I. F. Silvera, Rev. Mod. Phys. 52, 393 (1980); see also E. Ilisca, Mod. Phys. Lett. B 5, 1191 (1991).
-
(1980)
Rev. Mod. Phys.
, vol.52
, pp. 393
-
-
Silvera, I.F.1
-
9
-
-
35949017326
-
-
I. F. Silvera, Rev. Mod. Phys. 52, 393 (1980); see also E. Ilisca, Mod. Phys. Lett. B 5, 1191 (1991).
-
(1991)
Mod. Phys. Lett. B
, vol.5
, pp. 1191
-
-
Ilisca, E.1
-
14
-
-
84953653958
-
-
K. Hiraoka and P. Kebarle, J. Chem. Phys. 62, 2267 (1975); K. Hiraoka, ibid. 87, 4048 (1987); K. Hiraoka and T. Mori, Chem. Phys. Lett. 157, 467 (1989).
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 2267
-
-
Hiraoka, K.1
Kebarle, P.2
-
15
-
-
0000430192
-
-
K. Hiraoka and P. Kebarle, J. Chem. Phys. 62, 2267 (1975); K. Hiraoka, ibid. 87, 4048 (1987); K. Hiraoka and T. Mori, Chem. Phys. Lett. 157, 467 (1989).
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 4048
-
-
Hiraoka, K.1
-
16
-
-
0000019908
-
-
K. Hiraoka and P. Kebarle, J. Chem. Phys. 62, 2267 (1975); K. Hiraoka, ibid. 87, 4048 (1987); K. Hiraoka and T. Mori, Chem. Phys. Lett. 157, 467 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 467
-
-
Hiraoka, K.1
Mori, T.2
-
19
-
-
36549096797
-
-
M. Okumura, L. I. Yeh, and Y. T. Lee, J. Chem. Phys. 88, 79 (1988); 83, 3705 (1985).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 79
-
-
Okumura, M.1
Yeh, L.I.2
Lee, Y.T.3
-
20
-
-
0000075998
-
-
M. Okumura, L. I. Yeh, and Y. T. Lee, J. Chem. Phys. 88, 79 (1988); 83, 3705 (1985).
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 3705
-
-
-
22
-
-
6644230587
-
-
W. Paul, B. Lücke, S. Schlemmer, and D. Gerlich, Int. J. Mass Spectrom. Ion Processes 149/150, 373 (1995); W. Paul, S. Schlemmer, B. Lücke, and D. Gerlich, Chem. Phys. 209, 265 (1996).
-
(1995)
Int. J. Mass Spectrom. Ion Processes
, vol.149-150
, pp. 373
-
-
Paul, W.1
Lücke, B.2
Schlemmer, S.3
Gerlich, D.4
-
23
-
-
0030587279
-
-
W. Paul, B. Lücke, S. Schlemmer, and D. Gerlich, Int. J. Mass Spectrom. Ion Processes 149/150, 373 (1995); W. Paul, S. Schlemmer, B. Lücke, and D. Gerlich, Chem. Phys. 209, 265 (1996).
-
(1996)
Chem. Phys.
, vol.209
, pp. 265
-
-
Paul, W.1
Schlemmer, S.2
Lücke, B.3
Gerlich, D.4
-
26
-
-
5544248942
-
-
USSR
-
U. A. Arifov, S. L. Pozharov, I. G. Chernov, and Z. A. Mukhamediev, High Energy Chem. (USSR) 5, 69 (1971).
-
(1971)
High Energy Chem.
, vol.5
, pp. 69
-
-
Arifov, U.A.1
Pozharov, S.L.2
Chernov, I.G.3
Mukhamediev, Z.A.4
-
28
-
-
0039339770
-
-
M. T. Elford and H. B. Milloy, Aust. J. Phys. 27, 795 (1974); M. T. Elford, J. Chem. Phys. 79, 5951 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 5951
-
-
Elford, M.T.1
-
31
-
-
4244153271
-
-
S. Ouaskit, B. Farizon, M. Farizon, M. J. Gaillard, and E. Gerlic, Phys. Rev. A 49, 1484 (1994).
-
(1994)
Phys. Rev. A
, vol.49
, pp. 1484
-
-
Ouaskit, S.1
Farizon, B.2
Farizon, M.3
Gaillard, M.J.4
Gerlic, E.5
-
37
-
-
80855140472
-
-
S. W. Harrison, L. J. Massa, and P. Solomon, Nature (London), Phys. Sci. 245, 31 (1973).
-
(1973)
Nature (London), Phys. Sci.
, vol.245
, pp. 31
-
-
Harrison, S.W.1
Massa, L.J.2
Solomon, P.3
-
39
-
-
0039636779
-
-
H. Huber, Chem. Phys. Lett. 70, 353 (1980); J. Mol. Struct. (THEOCHEM) 121, 281 (1985).
-
(1980)
Chem. Phys. Lett.
, vol.70
, pp. 353
-
-
Huber, H.1
-
40
-
-
5544309465
-
-
H. Huber, Chem. Phys. Lett. 70, 353 (1980); J. Mol. Struct. (THEOCHEM) 121, 281 (1985).
-
(1985)
J. Mol. Struct. (THEOCHEM)
, vol.121
, pp. 281
-
-
-
44
-
-
0000245953
-
-
M. Farizon, B. Farizon-Mazuy, N. V. de Castro Faria, and H. Chermette, Chem. Phys. Lett. 177, 451 (1991); M. Farizon, H. Chermette, and B. Farizon-Mazuy, J. Chem. Phys. 96, 1325 (1992).
-
(1991)
Chem. Phys. Lett.
, vol.177
, pp. 451
-
-
Farizon, M.1
Farizon-Mazuy, B.2
De Castro Faria, N.V.3
Chermette, H.4
-
45
-
-
0001131644
-
-
M. Farizon, B. Farizon-Mazuy, N. V. de Castro Faria, and H. Chermette, Chem. Phys. Lett. 177, 451 (1991); M. Farizon, H. Chermette, and B. Farizon-Mazuy, J. Chem. Phys. 96, 1325 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1325
-
-
Farizon, M.1
Chermette, H.2
Farizon-Mazuy, B.3
-
48
-
-
0001509513
-
-
D. Marx and M. Parrinello, Nature (London) 375, 216 (1995); Science 271, 179 (1996).
-
(1996)
Science
, vol.271
, pp. 179
-
-
-
49
-
-
0031034836
-
-
M. E. Tuckerman, D. Marx, M. L. Klein, and M. Parrinello, Science 275, 817 (1997).
-
(1997)
Science
, vol.275
, pp. 817
-
-
Tuckerman, M.E.1
Marx, D.2
Klein, M.L.3
Parrinello, M.4
-
50
-
-
5544304355
-
-
I. Stich, D. Marx, M. Parrinello, and K. Terakura, Phys. Rev. Lett. 78, 3699 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 3699
-
-
Stich, I.1
Marx, D.2
Parrinello, M.3
Terakura, K.4
-
52
-
-
0001256220
-
-
D. Marx and M. Parrinello, Z. Phys. B 95, 143 (1994); J. Chem. Phys. 104, 4077 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4077
-
-
-
56
-
-
11944256577
-
-
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
-
(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
-
57
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. K. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.K.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
58
-
-
85033321386
-
-
private communication
-
P. Giannozzi (private communication).
-
-
-
Giannozzi, P.1
-
59
-
-
0000060311
-
-
M. E. Tuckerman, B. J. Berne, G. J. Martyna, and M. L. Klein, J. Chem. Phys. 97, 2635 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2635
-
-
Tuckerman, M.E.1
Berne, B.J.2
Martyna, G.J.3
Klein, M.L.4
-
60
-
-
0000671855
-
-
M. E. Tuckerman, D. Marx, M. L. Klein, and M. Parrinello, J. Chem. Phys. 104, 5579 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5579
-
-
Tuckerman, M.E.1
Marx, D.2
Klein, M.L.3
Parrinello, M.4
-
62
-
-
0000625523
-
-
In practice, the algorithm is closely related to the conjugate-gradient algorithms described in I. Stich, R. Car, M. Parrinello, and S. Baroni, Phys. Rev. 39, 4997 (1989); M. J. Gillan J. Phys. Condens. Matter 1, 689 (1989).
-
(1989)
Phys. Rev.
, vol.39
, pp. 4997
-
-
Stich, I.1
Car, R.2
Parrinello, M.3
Baroni, S.4
-
63
-
-
24044469773
-
-
In practice, the algorithm is closely related to the conjugate-gradient algorithms described in I. Stich, R. Car, M. Parrinello, and S. Baroni, Phys. Rev. 39, 4997 (1989); M. J. Gillan J. Phys. Condens. Matter 1, 689 (1989).
-
(1989)
J. Phys. Condens. Matter
, vol.1
, pp. 689
-
-
Gillan, M.J.1
-
68
-
-
0000135791
-
-
M. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Chem. Phys. 103, 150 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 150
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
69
-
-
0002882506
-
-
D. W. Boo, Z. F. Liu, A. G. Suits, J. S. Tse, and Y. T. Lee, Science 269, 57 (1995); D. W. Boo and Y. T. Lee, J. Chem. Phys. 103, 520 (1995).
-
(1995)
Science
, vol.269
, pp. 57
-
-
Boo, D.W.1
Liu, Z.F.2
Suits, A.G.3
Tse, J.S.4
Lee, Y.T.5
-
70
-
-
0342454383
-
-
D. W. Boo, Z. F. Liu, A. G. Suits, J. S. Tse, and Y. T. Lee, Science 269, 57 (1995); D. W. Boo and Y. T. Lee, J. Chem. Phys. 103, 520 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 520
-
-
Boo, D.W.1
Lee, Y.T.2
|