-
1
-
-
84870218937
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.84.1607
-
J. M. McMahon, M. A. Morales, C. Pierleoni, and D. M. Ceperley, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.84.1607 84, 1607 (2012).
-
(2012)
Rev. Mod. Phys.
, vol.84
, pp. 1607
-
-
McMahon, J.M.1
Morales, M.A.2
Pierleoni, C.3
Ceperley, D.M.4
-
2
-
-
81955167333
-
-
1476-1122 10.1038/nmat3175
-
M. I. Eremets and I. A. Troyan, Nat. Mater. 1476-1122 10.1038/nmat3175 10, 927 (2011).
-
(2011)
Nat. Mater.
, vol.10
, pp. 927
-
-
Eremets, M.I.1
Troyan, I.A.2
-
3
-
-
84859034467
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.125501
-
R. T. Howie, C. L. Guillaume, T. Scheler, A. F. Goncharov, and E. Gregoryanz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.125501 108, 125501 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 125501
-
-
Howie, R.T.1
Guillaume, C.L.2
Scheler, T.3
Goncharov, A.F.4
Gregoryanz, E.5
-
6
-
-
84865202737
-
-
JCPSA6 0021-9606 10.1063/1.4745186
-
H. Liu, L. Zhu, W. Cui, and Y. Ma, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4745186 137, 074501 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 074501
-
-
Liu, H.1
Zhu, L.2
Cui, W.3
Ma, Y.4
-
7
-
-
0001241715
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.36.2092
-
D. M. Ceperley and B. J. Alder, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.36.2092 36, 2092 (1987).
-
(1987)
Phys. Rev. B
, vol.36
, pp. 2092
-
-
Ceperley, D.M.1
Alder, B.J.2
-
10
-
-
6044240836
-
A quantum fluid of metallic hydrogen suggested by first-principles calculations
-
DOI 10.1038/nature02968
-
S. A. Bonev, E. Schwegler, T. Ogitsu, and G. Galli, Nature (London) NATUAS 0028-0836 10.1038/nature02968 431, 669 (2004). (Pubitemid 39382609)
-
(2004)
Nature
, vol.431
, Issue.7009
, pp. 669-672
-
-
Bonev, S.A.1
Schwegler, E.2
Ogitsu, T.3
Galli, G.4
-
11
-
-
77955603954
-
-
0027-8424 10.1073/pnas.1007309107
-
M. A. Morales, C. Pierleoni, E. Schwegler, and D. M. Ceperley, PNAS 0027-8424 10.1073/pnas.1007309107 107, 12799 (2010).
-
(2010)
PNAS
, vol.107
, pp. 12799
-
-
Morales, M.A.1
Pierleoni, C.2
Schwegler, E.3
Ceperley, D.M.4
-
12
-
-
34547264361
-
-
1745-2473 10.1038/nphys625
-
C. J. Pickard and R. J. Needs, Nat. Phys. 1745-2473 10.1038/nphys625 3, 473 (2007).
-
(2007)
Nat. Phys.
, vol.3
, pp. 473
-
-
Pickard, C.J.1
Needs, R.J.2
-
13
-
-
79960635840
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.165302
-
J. M. McMahon and D. M. Ceperley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.165302 106, 165302 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 165302
-
-
McMahon, J.M.1
Ceperley, D.M.2
-
14
-
-
84867304919
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.109.155303
-
G. Geneste, M. Torrent, F. Bottin, and P. Loubeyre, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.109.155303 109, 155303 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.109
, pp. 155303
-
-
Geneste, G.1
Torrent, M.2
Bottin, F.3
Loubeyre, P.4
-
15
-
-
84873416945
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702
-
M. A. Morales, J. M. McMahon, C. Pierleoni, and D. M. Ceperley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702 110, 065702 (2013).
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 065702
-
-
Morales, M.A.1
McMahon, J.M.2
Pierleoni, C.3
Ceperley, D.M.4
-
17
-
-
84873308468
-
-
JCOMEL 0953-8984 10.1088/0953-8984/25/8/085402
-
X. Z. Li, B. Walker, M. I. J. Probert, C. J. Pickard, R. J. Needs, and A. Michaelides, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/25/8/ 085402 25, 085402 (2013).
-
(2013)
J. Phys.: Condens. Matter
, vol.25
, pp. 085402
-
-
Li, X.Z.1
Walker, B.2
Probert, M.I.J.3
Pickard, C.J.4
Needs, R.J.5
Michaelides, A.6
-
21
-
-
3242718844
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
-
M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401 92, 246401 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, H.2
Schroder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
-
22
-
-
34648834821
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.125112
-
T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.125112 76, 125112 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 125112
-
-
Thonhauser, T.1
Cooper, V.R.2
Li, S.3
Puzder, A.4
Hyldgaard, P.5
Langreth, D.C.6
-
23
-
-
69449093005
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
-
G. Roman-Perez and J. M. Soler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102 103, 096102 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 096102
-
-
Roman-Perez, G.1
Soler, J.M.2
-
24
-
-
77957555812
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.081101
-
K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.081101 82, 081101 (R) (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 081101
-
-
Lee, K.1
Murray, E.D.2
Kong, L.3
Lundqvist, B.I.4
Langreth, D.C.5
-
25
-
-
12844286241
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.47.558
-
G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.558 47, 558 (1993);
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558
-
-
Kresse, G.1
Hafner, J.2
-
26
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
G. Kresse and J. Furthmller, Comput. Mat. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
27
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009);
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
-
28
-
-
84877917490
-
-
http://www.quantum-espresso.org.
-
-
-
-
29
-
-
33645426115
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
30
-
-
0011236321
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
33
-
-
84877915174
-
-
The unit cells are elongated along the x axis, so a 1×2×2 k-point grid provided a reasonable compromise between speed and accuracy in simulations with HSE.
-
The unit cells are elongated along the x axis, so a 1 × 2 × 2 k-point grid provided a reasonable compromise between speed and accuracy in simulations with HSE.
-
-
-
-
34
-
-
0041440809
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.84.6070
-
M. Stadele and R. M. Martin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.6070 84, 6070 (2000).
-
(2000)
Phys. Rev. Lett.
, vol.84
, pp. 6070
-
-
Stadele, M.1
Martin, R.M.2
-
35
-
-
84857580176
-
-
0021-9606 10.1063/1.3679662
-
V. Labet, P. Gonzalez-Morelos, R. Hoffmann, and N. W. Ashcroft, J. Chem. Phys. 0021-9606 10.1063/1.3679662 136, 074501 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 074501
-
-
Labet, V.1
Gonzalez-Morelos, P.2
Hoffmann, R.3
Ashcroft, N.W.4
-
39
-
-
0001615495
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.69.3527
-
K. J. Runge, Michael P. Surh, C. Mailhiot, and E. L. Pollock, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.3527 69, 3527 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.69
, pp. 3527
-
-
Runge, K.J.1
Surh, M.P.2
Mailhiot, C.3
Pollock, E.L.4
-
40
-
-
0037061462
-
Optical studies of solid hydrogen to 320 GPa and evidence for black hydrogen
-
DOI 10.1038/416613a
-
P. Loubeyre, F. Occelli, and R. LeToullec, Nature 0028-0836 10.1038/416613a 416, 613 (2002). (Pubitemid 34406757)
-
(2002)
Nature
, vol.416
, Issue.6881
, pp. 613-617
-
-
Loubeyre, P.1
Occelli, F.2
LeToullec, R.3
-
41
-
-
84859609461
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.146402
-
C.-S. Zha, Z. Liu, and R. J. Hemley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.146402 108, 146402 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 146402
-
-
Zha, C.-S.1
Liu, Z.2
Hemley, R.J.3
-
42
-
-
84872224999
-
-
1098-0121 10.1103/PhysRevB.87.024101
-
A. F. Goncharov, J. S. Tse, H. Wang, J. Yang, V. V. Struzhkin, R. T. Howie, and E. Gregoryanz, Phys. Rev. B 1098-0121 10.1103/PhysRevB.87.024101 87, 024101 (2012).
-
(2012)
Phys. Rev. B
, vol.87
, pp. 024101
-
-
Goncharov, A.F.1
Tse, J.S.2
Wang, H.3
Yang, J.4
Struzhkin, V.V.5
Howie, R.T.6
Gregoryanz, E.7
-
44
-
-
84855273660
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/5/053202
-
T. Hickel, B. Grabowski, F. Körmann, and J. Neugebauer, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/5/053202 24, 053202 (2012).
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 053202
-
-
Hickel, T.1
Grabowski, B.2
Körmann, F.3
Neugebauer, J.4
-
45
-
-
84877887649
-
-
Inclusion of Fermi statistics would modify the temperature range where rotations behave quantum mechanically. This is the subject of future study.
-
Inclusion of Fermi statistics would modify the temperature range where rotations behave quantum mechanically. This is the subject of future study.
-
-
-
-
46
-
-
84862578163
-
-
PNASA6 0027-8424 10.1073/pnas.1207065109
-
S. Lebegue, C. M. Araujo, D. Y. Kim, M. Ramzan, H. k. Mao, and R. Ahuja, PNAS PNASA6 0027-8424 10.1073/pnas.1207065109 109, 9766 (2012).
-
(2012)
PNAS
, vol.109
, pp. 9766
-
-
Lebegue, S.1
Araujo, C.M.2
Kim, D.Y.3
Ramzan, M.4
Mao, H.K.5
Ahuja, R.6
-
47
-
-
33947200137
-
-
in Springer, Berlin, Heidelberg
-
C. Pierleoni and D. M. Ceperley, in The Coupled Electron-Ion Monte Carlo Method, Lecture Notes in Physics, Vol. 703 (Springer, Berlin, Heidelberg, 2006), pp. 641-683.
-
(2006)
The Coupled Electron-Ion Monte Carlo Method
, pp. 641-683
-
-
Pierleoni, C.1
Ceperley, D.M.2
-
49
-
-
84855947483
-
-
MOPHAM 0026-8976 10.1080/00268976.2011.624992
-
E. Liberatore, M. A. Morales, D. M. Ceperley, and C. Pierleoni, Mol. Phys. MOPHAM 0026-8976 10.1080/00268976.2011.624992 109, 3029 (2011).
-
(2011)
Mol. Phys.
, vol.109
, pp. 3029
-
-
Liberatore, E.1
Morales, M.A.2
Ceperley, D.M.3
Pierleoni, C.4
|