-
1
-
-
0023159706
-
-
Q. Williams, R. Jeanloz, J. D. Bass, B. Svendesen, and T. J. Ahrens, Science 286, 181 (1987).
-
(1987)
Science
, vol.286
, pp. 181
-
-
Williams, Q.1
Jeanloz, R.2
Bass, J.D.3
Svendesen, B.4
Ahrens, T.J.5
-
3
-
-
0032004302
-
-
G. Shen, H. Mao, R. J. Hemley, T. S. Duffy, and M. L. Rivers, Geophys. Res. Lett. 25, 373 (1998).
-
(1998)
Geophys. Res. Lett.
, vol.25
, pp. 373
-
-
Shen, G.1
Mao, H.2
Hemley, R.J.3
Duffy, T.S.4
Rivers, M.L.5
-
5
-
-
12044255988
-
-
C. S. Yoo, N. C. Holmes, M. Ross, D. J. Webb, and C. Pike, Phys. Rev. Lett. 70, 3931 (1993).
-
(1993)
Phys. Rev. Lett.
, vol.70
, pp. 3931
-
-
Yoo, C.S.1
Holmes, N.C.2
Ross, M.3
Webb, D.J.4
Pike, C.5
-
9
-
-
0034635566
-
-
A. Laio, S. Bernard, G. L. Chiarotti, S. Scandolo, and E. Tosatti, Science 287, 1027 (2000).
-
(2000)
Science
, vol.287
, pp. 1027
-
-
Laio, A.1
Bernard, S.2
Chiarotti, G.L.3
Scandolo, S.4
Tosatti, E.5
-
11
-
-
84973339075
-
-
77th ed., edited by D. R. Lide (CRC Press, New York
-
CRC Handbook of Chemistry and Physics, 77th ed., edited by D. R. Lide (CRC Press, New York, 1996-1997).
-
(1996)
CRC Handbook of Chemistry and Physics
-
-
-
14
-
-
0021603397
-
-
edited by C. Homan, R. K. MacCrone, and E. Whalley (North Holland, Amsterdam
-
J. W. Shaner, J. M. Brown, and R. G. McQueen, in High Pressure in Science and Technology, edited by C. Homan, R. K. MacCrone, and E. Whalley (North Holland, Amsterdam, 1984), p. 137.
-
(1984)
High Pressure in Science and Technology
, pp. 137
-
-
Shaner, J.W.1
Brown, J.M.2
McQueen, R.G.3
-
17
-
-
0000472825
-
-
J. R. Morris, C. Z. Wang, K. M. Ho, and C. T. Chan, Phys. Rev. B 49, 3109 (1994).
-
(1994)
Phys. Rev. B
, vol.49
, pp. 3109
-
-
Morris, J.R.1
Wang, C.Z.2
Ho, K.M.3
Chan, C.T.4
-
18
-
-
0000618203
-
-
G. K. Straub, J. B. Aidun, J. M. Wills, C. R. Sanchez-Castro, and D. C. Wallace, Phys. Rev. B 50, 5055 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 5055
-
-
Straub, G.K.1
Aidun, J.B.2
Wills, J.M.3
Sanchez-Castro, C.R.4
Wallace, D.C.5
-
24
-
-
84870726202
-
-
For a discussion of thermodynamic integration see, e.g., Academic Press, San Diego
-
For a discussion of thermodynamic integration see, e.g., D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, San Diego, 1996).
-
(1996)
Understanding Molecular Simulation
-
-
Frenkel, D.1
Smit, B.2
-
28
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. 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.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
34
-
-
0028763270
-
-
A discussion of the ultrasoft pseudopotentials used in the VASP code is given in
-
A discussion of the ultrasoft pseudopotentials used in the VASP code is given inG. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994).
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 8245
-
-
Kresse, G.1
Hafner, J.2
-
40
-
-
0000354238
-
-
D. Alfè, G. A. de Wijs, G. Kresse, and M. J. Gillan, Int. J. Quantum Chem. 77, 871 (2000).
-
(2000)
Int. J. Quantum Chem.
, vol.77
, pp. 871
-
-
Alfè, D.1
de Wijs, G.A.2
Kresse, G.3
Gillan, M.J.4
-
50
-
-
85038318904
-
-
Structural characterization of Materials Liquid database, Institute of Advanced Materials Processing, Tohoku University, Japan
-
Structural characterization of Materials Liquid database, Institute of Advanced Materials Processing, Tohoku University, Japan. http://www.iamp.tohoku.ac.jp/database/scm/LIQ/gr/Al_750_gr.txt
-
-
-
-
51
-
-
85038346654
-
-
Program available at
-
Program available at http://chianti.geol.ucl.ac.uk/(formula presented)dario
-
-
-
-
56
-
-
0003776422
-
-
World Scientific, Singapore
-
B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994).
-
(1994)
Monte Carlo Methods in Ab Initio Quantum Chemistry
-
-
Hammond, B.L.1
Lester, W.A.2
Reynolds, P.J.3
-
57
-
-
0000000129
-
-
G. Rajagopal, R. J. Needs, A. James, S. D. Kenny, and W. M. C. Foulkes, Phys. Rev. B 51, 10 591 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 10 591
-
-
Rajagopal, G.1
Needs, R.J.2
James, A.3
Kenny, S.D.4
Foulkes, W.M.C.5
-
58
-
-
0001293662
-
-
P. R. C. Kent, R. Q. Hood, A. J. Williamson, R. J. Needs, W. M. C. Foulkes, and G. Rajagopal, Phys. Rev. B 59, 1917 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1917
-
-
Kent, P.R.C.1
Hood, R.Q.2
Williamson, A.J.3
Needs, R.J.4
Foulkes, W.M.C.5
Rajagopal, G.6
-
60
-
-
0000100968
-
-
M. W. Chase, Jr., C. A. Davies, J. R. Downey, Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud, J. Phys. Chem. Ref. Data Suppl. 14, 1 (1985).
-
(1985)
J. Phys. Chem. Ref. Data Suppl.
, vol.14
, pp. 1
-
-
Chase, M.W.1
Davies, C.A.2
Downey, J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
|