-
1
-
-
37049186728
-
-
SCIEAS 0036-8075
-
W.B. Hubbard, Science SCIEAS 0036-8075 214, 145 (1981).
-
(1981)
Science
, vol.214
, pp. 145
-
-
Hubbard, W.B.1
-
2
-
-
4043140086
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.60.2284
-
P. Demontis, R. LeSar, and M.L. Klein, Phys. Rev. Lett. 60, 2284 (1988). PRLTAO 0031-9007 10.1103/PhysRevLett.60.2284
-
(1988)
Phys. Rev. Lett.
, vol.60
, pp. 2284
-
-
Demontis, P.1
Lesar, R.2
Klein, M.L.3
-
3
-
-
4243606192
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
-
R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Car, R.1
Parrinello, M.2
-
4
-
-
18144379679
-
-
copyright IBM Corp., 1990-2004, copyright MPI fuer Festkoerperforschung Stuttgart
-
CPMD, version 3.91, copyright IBM Corp., 1990-2004, copyright MPI fuer Festkoerperforschung Stuttgart, 1997-2001, www.cpmd.org.
-
(1997)
CPMD, Version 3.91
-
-
-
5
-
-
0032900918
-
-
SCIEAS 0036-8075 10.1126/science.283.5398.44
-
C. Cavazzoni, G.L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, and M. Parrinello, Science SCIEAS 0036-8075 283, 44 (1999). 10.1126/science.283. 5398.44
-
(1999)
Science
, vol.283
, pp. 44
-
-
Cavazzoni, C.1
Chiarotti, G.L.2
Scandolo, S.3
Tosatti, E.4
Bernasconi, M.5
Parrinello, M.6
-
6
-
-
0001122918
-
-
JCPSA6 0021-9606 10.1063/1.475200
-
W.J. Nellis, N.C. Holmes, A.C. Mitchell, D.C. Hamilton, and M. Nicol, J. Chem. Phys. 107, 9096 (1997). JCPSA6 0021-9606 10.1063/1.475200
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9096
-
-
Nellis, W.J.1
Holmes, N.C.2
Mitchell, A.C.3
Hamilton, D.C.4
Nicol, M.5
-
7
-
-
0035121406
-
-
JCPSA6 0021-9606 10.1063/1.1332079
-
R. Chau, A.C. Mitchell, R.W. Minich, and W.J. Nellis, J. Chem. Phys. 114, 1361 (2001). JCPSA6 0021-9606 10.1063/1.1332079
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 1361
-
-
Chau, R.1
Mitchell, A.C.2
Minich, R.W.3
Nellis, W.J.4
-
8
-
-
0035945145
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.87.265501
-
E. Schwegler, G. Galli, F. Gygi, and R.Q. Hood, Phys. Rev. Lett. 87, 265501 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.87.265501
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 265501
-
-
Schwegler, E.1
Galli, G.2
Gygi, F.3
Hood, R.Q.4
-
9
-
-
0037021337
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.199601
-
C. Dellago, P.L. Geissler, D. Chandler, J. Hutter, and M. Parrinello, Phys. Rev. Lett. 89, 199601 (2002); PRLTAO 0031-9007 10.1103/PhysRevLett.89. 199601
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 199601
-
-
Dellago, C.1
Geissler, P.L.2
Chandler, D.3
Hutter, J.4
Parrinello, M.5
-
10
-
-
85038289495
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.199602
-
E. Schwegler, G. Gall, F. Gygi, and R.Q. Hood, Phys. Rev. Lett. PRLTAO 0031-9007 89, 199602 (2002). 10.1103/PhysRevLett.89.199602
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 199602
-
-
Schwegler, E.1
Gall, G.2
Gygi, F.3
Hood, R.Q.4
-
11
-
-
2142813800
-
-
JCOMEL 0953-8984 10.1088/0953-8984/16/14/028
-
B. Schwager, L. Chudinovskikh, A. Gavriliuk, and R. Boehler, J. Phys. Condens. Matter JCOMEL 0953-8984 16, S1177 (2004). 10.1088/0953-8984/16/14/028
-
(2004)
J. Phys. Condens. Matter
, vol.16
, pp. 1177
-
-
Schwager, B.1
Chudinovskikh, L.2
Gavriliuk, A.3
Boehler, R.4
-
13
-
-
9744250946
-
-
JCPSA6 0021-9606 10.1063/1.1784438
-
J.F. Lin, B. Militzer, V.V. Struzhkin, E. Gregoryanz, and R.J. Hemley, J. Chem. Phys. JCPSA6 0021-9606 121, 8423 (2004). 10.1063/1.1784438
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8423
-
-
Lin, J.F.1
Militzer, B.2
Struzhkin, V.V.3
Gregoryanz, E.4
Hemley, R.J.5
-
14
-
-
0037083575
-
-
SCIEAS 0036-8075 10.1126/science.1067746
-
E. Katoh, H. Yamawaki, H. Fujihisa, M. Sakashita, and K. Aoki, Science SCIEAS 0036-8075 295, 1264 (2002). 10.1126/science.1067746
-
(2002)
Science
, vol.295
, pp. 1264
-
-
Katoh, E.1
Yamawaki, H.2
Fujihisa, H.3
Sakashita, M.4
Aoki, K.5
-
15
-
-
18144370062
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.94.125508
-
A.F. Goncharov, N. Goldman, L.E. Fried, J.C. Crowhurst, I.-F.W. Kuo, C.J. Mundy, and J.M. Zaug, Phys. Rev. Lett. PRLTAO 0031-9007 94, 125508 (2005). 10.1103/PhysRevLett.94.125508
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 125508
-
-
Goncharov, A.F.1
Goldman, N.2
Fried, L.E.3
Crowhurst, J.C.4
Kuo, I.-F.W.5
Mundy, C.J.6
Zaug, J.M.7
-
16
-
-
4243553426
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
-
A.D. Becke, Phys. Rev. A PLRAAN 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
17
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785
-
C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B PRBMDO 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
18
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J. Martins, Phys. Rev. B PRBMDO 0163-1829 43, 1993 (1991). 10.1103/PhysRevB.43.1993
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.2
-
19
-
-
0001538909
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.31.1695
-
W.G. Hoover, Phys. Rev. A PLRAAN 1050-2947 31, 1695 (1985). 10.1103/PhysRevA.31.1695
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
20
-
-
0942288567
-
-
JCPSA6 0021-9606 10.1063/1.1630560
-
J. Grossman, E. Schwegler, E.W. Draeger, F. Gygi, and G. Galli, J. Chem. Phys. 120, 300 (2004). JCPSA6 0021-9606 10.1063/1.1630560
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 300
-
-
Grossman, J.1
Schwegler, E.2
Draeger, E.W.3
Gygi, F.4
Galli, G.5
-
21
-
-
4444372137
-
-
JPCBFK 1520-6106 10.1021/jp047788i
-
I.-F. Kuo, C. Mundy, M. McGrath, J. Siepmann, J. VandeVondele, M. Sprik, J. Hutter, B. Chen, M. Klein, F. Mohamed, M. Krack, and M. Parrinello, J. Phys. Chem. B 108, 12990 (2004). JPCBFK 1520-6106 10.1021/jp047788i
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 12990
-
-
Kuo, I.-F.1
Mundy, C.2
McGrath, M.3
Siepmann, J.4
Vandevondele, J.5
Sprik, M.6
Hutter, J.7
Chen, B.8
Klein, M.9
Mohamed, F.10
Krack, M.11
Parrinello, M.12
-
23
-
-
45849154593
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.145501
-
M. Benoit, A.H. Romero, and D. Marx, Phys. Rev. Lett. 89, 145501 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.145501
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 145501
-
-
Benoit, M.1
Romero, A.H.2
Marx, D.3
-
24
-
-
0001556741
-
-
ARPLAP 0066-426X 10.1146/annurev.physchem.51.1.763
-
R.J. Hemley, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 51, 763 (2000). 10.1146/annurev.physchem.51.1.763
-
(2000)
Annu. Rev. Phys. Chem.
, vol.51
, pp. 763
-
-
Hemley, R.J.1
-
25
-
-
33748374124
-
-
JCPSA6 0021-9606 10.1063/1.436049
-
D. Chandler, J. Chem. Phys. 68, 2959 (1978). JCPSA6 0021-9606 10.1063/1.436049
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 2959
-
-
Chandler, D.1
-
26
-
-
18344379950
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.82.3308
-
P.L. Silvestrelli and M. Parrinello, Phys. Rev. Lett. 82, 3308 (1999). PRLTAO 0031-9007 10.1103/PhysRevLett.82.3308
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3308
-
-
Silvestrelli, P.L.1
Parrinello, M.2
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