-
1
-
-
0035891306
-
Towards extending the applicability of density functional theory to weakly bound systems
-
DOI 10.1063/1.1412004
-
X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001). JCPSA6 0021-9606 10.1063/1.1412004 (Pubitemid 33102901)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.19
, pp. 8748-8757
-
-
Wu, X.1
Vargas, M.C.2
Nayak, S.3
Lotrich, V.4
Scoles, G.5
-
2
-
-
4043164887
-
-
JCCHDD 0192-8651 10.1002/jcc.20078
-
S. Grimme, J. Comput. Chem. 25, 1463 (2004). JCCHDD 0192-8651 10.1002/jcc.20078
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1463
-
-
Grimme, S.1
-
3
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
DOI 10.1002/jcc.20495
-
S. Grimme, J. Comput. Chem. 27, 1787 (2006). JCCHDD 0192-8651 10.1002/jcc.20495 (Pubitemid 44672561)
-
(2006)
Journal of Computational Chemistry
, vol.27
, Issue.15
, pp. 1787-1799
-
-
Grimme, S.1
-
4
-
-
77951680464
-
-
JCPSA6 0021-9606 10.1063/1.3382344
-
S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010). JCPSA6 0021-9606 10.1063/1.3382344
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 154104
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
5
-
-
28344439628
-
A density-functional model of the dispersion interaction
-
DOI 10.1063/1.2065267, 154101
-
A. D. Becke and E. R. Johnson, J. Chem. Phys. 123, 154101 (2005). JCPSA6 0021-9606 10.1063/1.2065267 (Pubitemid 41716911)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.15
, pp. 1-9
-
-
Becke, A.D.1
Johnson, E.R.2
-
6
-
-
34547554568
-
-
JCPSA6 0021-9606 10.1063/1.2190220
-
E. R. Johnson and A. D. Becke, J. Chem. Phys. 124, 174104 (2006). JCPSA6 0021-9606 10.1063/1.2190220
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 174104
-
-
Johnson, E.R.1
Becke, A.D.2
-
7
-
-
38949121770
-
Van der Waals interactions in DFT made easy by wannier dunctions
-
DOI 10.1103/PhysRevLett.100.053002
-
P. L. Silvestrelli, Phys. Rev. Lett. 100, 053002 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.053002 (Pubitemid 351230706)
-
(2008)
Physical Review Letters
, vol.100
, Issue.5
, pp. 053002
-
-
Silvestrelli, P.L.1
-
8
-
-
84855437881
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2011.11.003
-
C. Espejo, T. Rangel, Y. Pouillon, A. Romero, and X. Gonze, Comput. Phys. Commun. 183, 480 (2012). CPHCBZ 0010-4655 10.1016/j.cpc.2011.11.003
-
(2012)
Comput. Phys. Commun.
, vol.183
, pp. 480
-
-
Espejo, C.1
Rangel, T.2
Pouillon, Y.3
Romero, A.4
Gonze, X.5
-
9
-
-
61349180195
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
-
A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102, 073005 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 073005
-
-
Tkatchenko, A.1
Scheffler, M.2
-
10
-
-
25544474582
-
-
0556-2805 10.1103/PhysRevB.13.4274
-
O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976). 0556-2805 10.1103/PhysRevB.13.4274
-
(1976)
Phys. Rev. B
, vol.13
, pp. 4274
-
-
Gunnarsson, O.1
Lundqvist, B.I.2
-
11
-
-
14344278811
-
-
0556-2805 10.1103/PhysRevB.15.2884
-
D. C. Langreth and J. P. Perdew, Phys. Rev. B 15, 2884 (1977). 0556-2805 10.1103/PhysRevB.15.2884
-
(1977)
Phys. Rev. B
, vol.15
, pp. 2884
-
-
Langreth, D.C.1
Perdew, J.P.2
-
13
-
-
0034664530
-
Tractable nonlocal correlation density functionals for flat surfaces and slabs
-
DOI 10.1103/PhysRevB.62.6997
-
H. Rydberg, B. I. Lundqvist, D. C. Langreth, and M. Dion, Phys. Rev. B 62, 6997 (2000). PRBMDO 0163-1829 10.1103/PhysRevB.62.6997 (Pubitemid 32323592)
-
(2000)
Physical Review B - Condensed Matter and Materials Physics
, vol.62
, Issue.11
, pp. 6997-7006
-
-
Rydberg, H.1
Lundqvist, B.I.2
Langreth, D.C.3
Dion, M.4
-
14
-
-
0142219835
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.126402
-
H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 91, 126402 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.126402
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 126402
-
-
Rydberg, H.1
Dion, M.2
Jacobson, N.3
Schröder, E.4
Hyldgaard, P.5
Simak, S.I.6
Langreth, D.C.7
Lundqvist, B.I.8
-
15
-
-
3242718844
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
-
M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, H.2
Schröder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
-
16
-
-
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 76, 125112 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76. 125112
-
(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
-
17
-
-
84981643136
-
-
IJQCB2 0020-7608 10.1002/qua.560560410
-
B. I. Lundqvist, Y. Andersson, H. Shao, S. Chan, and D. C. Langreth, Int. J. Quantum Chem. 56, 247 (1995). IJQCB2 0020-7608 10.1002/qua.560560410
-
(1995)
Int. J. Quantum Chem.
, vol.56
, pp. 247
-
-
Lundqvist, B.I.1
Andersson, Y.2
Shao, H.3
Chan, S.4
Langreth, D.C.5
-
19
-
-
0000352612
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.76.1780
-
J. F. Dobson and B. P. Dinte, Phys. Rev. Lett. 76, 1780 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.76.1780
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 1780
-
-
Dobson, J.F.1
Dinte, B.P.2
-
20
-
-
0001437377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.4708
-
E. Hult, H. Rydberg, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 59, 4708 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.4708
-
(1999)
Phys. Rev. B
, vol.59
, pp. 4708
-
-
Hult, E.1
Rydberg, H.2
Lundqvist, B.I.3
Langreth, D.C.4
-
21
-
-
84874530244
-
-
10.1063/1.4789814
-
A. Tkatchenko, A. Ambrosetti, and R. A. DiStasio, Jr., J. Chem. Phys. 138, 074106 (2013). 10.1063/1.4789814
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 074106
-
-
Tkatchenko, A.1
Ambrosetti, A.2
Distasio, Jr.R.A.3
-
22
-
-
38849107422
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
-
J. Harl and G. Kresse, Phys. Rev. B 77, 045136 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
-
(2008)
Phys. Rev. B
, vol.77
, pp. 045136
-
-
Harl, J.1
Kresse, G.2
-
23
-
-
78149314542
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.105.196401
-
S. Lebègue, J. Harl, T. Gould, J. G. Ángyán, G. Kresse, and J. F. Dobson, Phys. Rev. Lett. 105, 196401 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.196401
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 196401
-
-
Lebègue, S.1
Harl, J.2
Gould, T.3
Ángyán, J.G.4
Kresse, G.5
Dobson, J.F.6
-
24
-
-
84861890021
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.235502
-
T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. Lett. 108, 235502 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108. 235502
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 235502
-
-
Björkman, T.1
Gulans, A.2
Krasheninnikov, A.V.3
Nieminen, R.M.4
-
25
-
-
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 82, 081101 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.081101
-
(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
-
26
-
-
65449177249
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/8/084203
-
D. C. Langreth, B. I. Lundqvist, S. D. Chakarova-Käck, V. R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, L. Kong, S. Li, P. G. Moses, E. Murray, A. Puzder, H. Rydberg, E. Schröder, and T. Thonhauser, J. Phys.: Condens. Matter 21, 084203 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/8/ 084203
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 084203
-
-
Langreth, D.C.1
Lundqvist, B.I.2
Chakarova-Käck, S.D.3
Cooper, V.R.4
Dion, M.5
Hyldgaard, P.6
Kelkkanen, A.7
Kleis, J.8
Kong, L.9
Li, S.10
Moses, P.G.11
Murray, E.12
Puzder, A.13
Rydberg, H.14
Schröder, E.15
Thonhauser, T.16
-
27
-
-
75749103761
-
-
NJOPFM 1367-2630 10.1088/1367-2630/12/1/013017
-
S. D. Chakarova-Käck, A. Vojvodic, J. Kleis, P. Hyldgaard, and E. Schröder, New J. Phys. 12, 013017 (2010). NJOPFM 1367-2630 10.1088/1367-2630/12/1/013017
-
(2010)
New J. Phys.
, vol.12
, pp. 013017
-
-
Chakarova-Käck, S.D.1
Vojvodic, A.2
Kleis, J.3
Hyldgaard, P.4
Schröder, E.5
-
28
-
-
79961122453
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.165423
-
J. Rohrer and P. Hyldgaard, Phys. Rev. B 83, 165423 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.165423
-
(2011)
Phys. Rev. B
, vol.83
, pp. 165423
-
-
Rohrer, J.1
Hyldgaard, P.2
-
29
-
-
77957372638
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.054116
-
E. Londero and E. Schröder, Phys. Rev. B 82, 054116 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.054116
-
(2010)
Phys. Rev. B
, vol.82
, pp. 054116
-
-
Londero, E.1
Schröder, E.2
-
31
-
-
78149266096
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.155461
-
K. Lee, Y. Morikawa, and D. C. Langreth, Phys. Rev. B 82, 155461 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.155461
-
(2010)
Phys. Rev. B
, vol.82
, pp. 155461
-
-
Lee, K.1
Morikawa, Y.2
Langreth, D.C.3
-
32
-
-
84867281669
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/42/424213
-
K. Lee, K. Berland, M. Yoon, S. Andersson, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, J. Phys.: Condens. Matter 24, 424213 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/42/424213
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 424213
-
-
Lee, K.1
Berland, K.2
Yoon, M.3
Andersson, S.4
Schröder, E.5
Hyldgaard, P.6
Lundqvist, B.I.7
-
33
-
-
79953666390
-
-
JCOMEL 0953-8984 10.1088/0953-8984/23/13/135001
-
K. Berland, S. D. Chakarova-Käck, V. R. Cooper, D. C. Langreth, and E. Schröder, J. Phys.: Condens. Matter 23, 135001 (2011). JCOMEL 0953-8984 10.1088/0953-8984/23/13/135001
-
(2011)
J. Phys.: Condens. Matter
, vol.23
, pp. 135001
-
-
Berland, K.1
Chakarova-Käck, S.D.2
Cooper, V.R.3
Langreth, D.C.4
Schröder, E.5
-
34
-
-
62549107034
-
-
JCPSA6 0021-9606 10.1063/1.3079684
-
O. A. Vydrov and T. Van Voorhis, J. Chem. Phys. 130, 104105 (2009). JCPSA6 0021-9606 10.1063/1.3079684
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 104105
-
-
Vydrov, O.A.1
Van Voorhis, T.2
-
35
-
-
68749098493
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004
-
O. A. Vydrov and T. Van Voorhis, Phys. Rev. Lett. 103, 063004 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 063004
-
-
Vydrov, O.A.1
Van Voorhis, T.2
-
36
-
-
78650908745
-
-
JCPSA6 0021-9606 10.1063/1.3521275
-
O. A. Vydrov and T. Van Voorhis, J. Chem. Phys. 133, 244103 (2010). JCPSA6 0021-9606 10.1063/1.3521275
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 244103
-
-
Vydrov, O.A.1
Van Voorhis, T.2
-
37
-
-
84867469652
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.165109
-
T. Björkman, Phys. Rev. B 86, 165109 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.165109
-
(2012)
Phys. Rev. B
, vol.86
, pp. 165109
-
-
Björkman, T.1
-
38
-
-
41849095114
-
Restoring the density-gradient expansion for exchange in solids and surfaces
-
DOI 10.1103/PhysRevLett.100.136406
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 (Pubitemid 351503187)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
39
-
-
84860123425
-
-
JCPSA6 0021-9606 10.1063/1.4704546
-
K. Burke, J. Chem. Phys. 136, 150901 (2012). JCPSA6 0021-9606 10.1063/1.4704546
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 150901
-
-
Burke, K.1
-
40
-
-
85029400214
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
-
Y. Zhang and W. Yang, Phys. Rev. Lett. 80, 890 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890
-
-
Zhang, Y.1
Yang, W.2
-
41
-
-
77955383468
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.161104
-
V. R. Cooper, Phys. Rev. B 81, 161104 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.161104
-
(2010)
Phys. Rev. B
, vol.81
, pp. 161104
-
-
Cooper, V.R.1
-
43
-
-
79960645403
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
-
J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
-
(2011)
Phys. Rev. B
, vol.83
, pp. 195131
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
44
-
-
67049172327
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.201105
-
A. Gulans, M. J. Puska, and R. M. Nieminen, Phys. Rev. B 79, 201105 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.201105
-
(2009)
Phys. Rev. B
, vol.79
, pp. 201105
-
-
Gulans, A.1
Puska, M.J.2
Nieminen, R.M.3
-
46
-
-
79961224950
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.245437
-
I. Hamada and M. Tsukada, Phys. Rev. B 83, 245437 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.245437
-
(2011)
Phys. Rev. B
, vol.83
, pp. 245437
-
-
Hamada, I.1
Tsukada, M.2
-
47
-
-
84867273168
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/42/424216
-
G. Graziano, J. Klimeš, F. Fernandez-Alonso, and A. Michaelides, J. Phys.: Condens. Matter 24, 424216 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/42/424216
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 424216
-
-
Graziano, G.1
Klimeš, J.2
Fernandez-Alonso, F.3
Michaelides, A.4
-
48
-
-
0242707295
-
-
9780-1203 10.1016/S0065-3276(08)60597-3
-
D. C. Langreth and S. Vosko, Adv. Quantum. Chem. 21, 175 (1990). 9780-1203 10.1016/S0065-3276(08)60597-3
-
(1990)
Adv. Quantum. Chem.
, vol.21
, pp. 175
-
-
Langreth, D.C.1
Vosko, S.2
-
49
-
-
70350648863
-
-
CJCHAG 0008-4042 10.1139/V09-095
-
P. Elliott and K. Burke, Can. J. Chem. 87, 1485 (2009). CJCHAG 0008-4042 10.1139/V09-095
-
(2009)
Can. J. Chem.
, vol.87
, pp. 1485
-
-
Elliott, P.1
Burke, K.2
-
50
-
-
18144378706
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.33.8800
-
J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.33.8800
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8800
-
-
Perdew, J.P.1
Wang, Y.2
-
53
-
-
82655185109
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.193408
-
K. Lee, A. K. Kelkkanen, K. Berland, S. Andersson, D. C. Langreth, E. Schröder, B. I. Lundqvist, and P. Hyldgaard, Phys. Rev. B 84, 193408 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.193408
-
(2011)
Phys. Rev. B
, vol.84
, pp. 193408
-
-
Lee, K.1
Kelkkanen, A.K.2
Berland, K.3
Andersson, S.4
Langreth, D.C.5
Schröder, E.6
Lundqvist, B.I.7
Hyldgaard, P.8
-
55
-
-
77953950028
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.81.062708
-
O. A. Vydrov and T. Van Voorhis, Phys. Rev. A 81, 062708 (2010). PLRAAN 1050-2947 10.1103/PhysRevA.81.062708
-
(2010)
Phys. Rev. A
, vol.81
, pp. 062708
-
-
Vydrov, O.A.1
Van Voorhis, T.2
-
56
-
-
78649910295
-
-
1948-7185 10.1021/jz101360k
-
J. Björk, F. Hanke, C.-A. Palma, P. Samori, M. Cecchini, and M. Persson, J Phys. Chem. Lett. 1, 3407 (2010). 1948-7185 10.1021/jz101360k
-
(2010)
J Phys. Chem. Lett.
, vol.1
, pp. 3407
-
-
Björk, J.1
Hanke, F.2
Palma, C.-A.3
Samori, P.4
Cecchini, M.5
Persson, M.6
-
57
-
-
84877900276
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.205421
-
K. Berland and P. Hyldgaard, Phys. Rev. B 87, 205421 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.205421
-
(2013)
Phys. Rev. B
, vol.87
, pp. 205421
-
-
Berland, K.1
Hyldgaard, P.2
-
58
-
-
35448973258
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.155425
-
E. Ziambaras, J. Kleis, E. Schröder, and P. Hyldgaard, Phys. Rev. B 76, 155425 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.155425
-
(2007)
Phys. Rev. B
, vol.76
, pp. 155425
-
-
Ziambaras, E.1
Kleis, J.2
Schröder, E.3
Hyldgaard, P.4
-
59
-
-
79958164925
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036
-
E. Londero and E. Schröder, Comput. Phys. Commun. 182, 1805 (2011). CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036
-
(2011)
Comput. Phys. Commun.
, vol.182
, pp. 1805
-
-
Londero, E.1
Schröder, E.2
-
60
-
-
77749301583
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.104.099303
-
D. C. Langreth and B. I. Lundqvist, Phys. Rev. Lett. 104, 099303 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.099303
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 099303
-
-
Langreth, D.C.1
Lundqvist, B.I.2
-
61
-
-
77954603797
-
-
JCPSA6 0021-9606 10.1063/1.3366652
-
K. Berland and P. Hyldgaard, J. Chem. Phys. 132, 134705 (2010). JCPSA6 0021-9606 10.1063/1.3366652
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 134705
-
-
Berland, K.1
Hyldgaard, P.2
-
62
-
-
33744470857
-
-
10.1039/b600027d
-
P. Jurečka, J. Šponer, J. Černý, and P. Hobza, Phys. Chem. Chem. Phys. 8, 1985 (2006). 10.1039/b600027d
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 1985
-
-
Jurečka, P.1
Šponer, J.2
Černý, J.3
Hobza, P.4
-
63
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. D. Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Corso, A.D.11
De Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
-
64
-
-
69449093005
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
-
G. Román-Pérez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 096102
-
-
Román-Pérez, G.1
Soler, J.M.2
-
65
-
-
77955578570
-
-
1549-9618 10.1021/ct1002253
-
L. Grafova, M. Pitoňak, J. Řezač, and P. Hobza, J. Chem. Theory Comput. 6, 2365 (2010). 1549-9618 10.1021/ct1002253
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 2365
-
-
Grafova, L.1
Pitoňak, M.2
Řezač, J.3
Hobza, P.4
-
66
-
-
61549134825
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
-
P. Haas, F. Tran, and P. Blaha, Phys. Rev. B 79, 085104 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
-
(2009)
Phys. Rev. B
, vol.79
, pp. 085104
-
-
Haas, P.1
Tran, F.2
Blaha, P.3
-
67
-
-
65649139613
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.155107
-
G. I. Csonka, J. P. Perdew, A. Ruzsinszky, P. H. T. Philipsen, S. Lebègue, J. Paier, O. A. Vydrov, and J. G. Ángyán, Phys. Rev. B 79, 155107 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.155107
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155107
-
-
Csonka, G.I.1
Perdew, J.P.2
Ruzsinszky, A.3
Philipsen, P.H.T.4
Lebègue, S.5
Paier, J.6
Vydrov, O.A.7
Ángyán, J.G.8
-
68
-
-
0015111258
-
-
PSSABA 0031-8965 10.1002/pssa.2210060227
-
G. Cordoba and C. R. Brooks, Phys. Status Solidi A 6, 581 (1971). PSSABA 0031-8965 10.1002/pssa.2210060227
-
(1971)
Phys. Status Solidi A
, vol.6
, pp. 581
-
-
Cordoba, G.1
Brooks, C.R.2
-
69
-
-
18644386773
-
Effective elastic stiffnesses of InAs under uniform strain
-
DOI 10.1063/1.1500421
-
S. W. Ellaway and D. A. Faux, J. Appl. Phys. 92, 3027 (2002). JAPIAU 0021-8979 10.1063/1.1500421 (Pubitemid 35209229)
-
(2002)
Journal of Applied Physics
, vol.92
, Issue.6
, pp. 3027
-
-
Ellaway, S.W.1
Faux, D.A.2
-
70
-
-
33750575947
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.42.8651
-
Y. K. Vohra and A. L. Ruoff, Phys. Rev. B 42, 8651 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.42.8651
-
(1990)
Phys. Rev. B
, vol.42
, pp. 8651
-
-
Vohra, Y.K.1
Ruoff, A.L.2
-
71
-
-
36149028236
-
-
PHRVAO 0031-899X 10.1103/PhysRev.100.544
-
Y. Baskin and L. Meyer, Phys. Rev. 100, 544 (1955). PHRVAO 0031-899X 10.1103/PhysRev.100.544
-
(1955)
Phys. Rev.
, vol.100
, pp. 544
-
-
Baskin, Y.1
Meyer, L.2
-
72
-
-
84861569767
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.205418
-
Z. Liu, J. Z. Liu, Y. Cheng, Z. Li, L. Wang, and Q. Zheng, Phys. Rev. B 85, 205418 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.205418
-
(2012)
Phys. Rev. B
, vol.85
, pp. 205418
-
-
Liu, Z.1
Liu, J.Z.2
Cheng, Y.3
Li, Z.4
Wang, L.5
Zheng, Q.6
-
73
-
-
42749102313
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.69.155406
-
R. Zacharia, H. Ulbricht, and T. Hertel, Phys. Rev. B 69, 155406 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.69.155406
-
(2004)
Phys. Rev. B
, vol.69
, pp. 155406
-
-
Zacharia, R.1
Ulbricht, H.2
Hertel, T.3
-
74
-
-
0036721997
-
Lattice parameters and anisotropic thermal expansion of hexagonal boron nitride in the 10-297.5 K temperature range
-
DOI 10.1007/s003390100999
-
W. Paszkowicz, J. Pelka, M. Knapp, T. Szyszko, and S. Podsiadlo, Appl. Phys. A 75, 431 (2002). APAMFC 0947-8396 10.1007/s003390100999 (Pubitemid 34647260)
-
(2002)
Applied Physics A: Materials Science and Processing
, vol.75
, Issue.3
, pp. 431-435
-
-
Paszkowicz, W.1
Pelka, J.B.2
Knapp, M.3
Szyszko, T.4
Podsiadlo, S.5
-
76
-
-
0023436877
-
Crystal structures of tungsten disulfide and diselenide
-
DOI 10.1016/0022-4596(87)90057-0
-
W. Schutte, J. D. Boer, and F. Jellinek, J. Solid State Chem. 70, 207 (1987). JSSCBI 0022-4596 10.1016/0022-4596(87)90057-0 (Pubitemid 18518122)
-
(1987)
Journal of Solid State Chemistry
, vol.70
, Issue.2
, pp. 207-209
-
-
Schutte, W.J.1
De Boer, J.L.2
Jellinek, F.3
-
77
-
-
0001167227
-
-
ACCRA9 0365-110X 10.1107/S0365110X61003892
-
J. Leciejewicz, Acta Crystallogr. 14, 1304 (1961). ACCRA9 0365-110X 10.1107/S0365110X61003892
-
(1961)
Acta Crystallogr.
, vol.14
, pp. 1304
-
-
Leciejewicz, J.1
-
78
-
-
84874965078
-
-
NALEFD 1530-6984 10.1021/nl304169w
-
Y. Zhao, X. Luo, H. Li, J. Zhang, P. T. Araujo, C. K. Gan, J. Wu, H. Zhang, S. Y. Quek, M. S. Dresselhaus, and Q. Xiong, Nano Lett. 13, 1007 (2013). NALEFD 1530-6984 10.1021/nl304169w
-
(2013)
Nano Lett.
, vol.13
, pp. 1007
-
-
Zhao, Y.1
Luo, X.2
Li, H.3
Zhang, J.4
Araujo, P.T.5
Gan, C.K.6
Wu, J.7
Zhang, H.8
Quek, S.Y.9
Dresselhaus, M.S.10
Xiong, Q.11
-
79
-
-
84867256438
-
-
JCOMEL 0953-8984 10.1088/0953-8984/24/42/424218
-
T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, J. Phys.: Condens. Matter 24, 424218 (2012). JCOMEL 0953-8984 10.1088/0953-8984/ 24/42/424218
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 424218
-
-
Björkman, T.1
Gulans, A.2
Krasheninnikov, A.V.3
Nieminen, R.M.4
-
80
-
-
70450064260
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.196401
-
L. Spanu, S. Sorella, and G. Galli, Phys. Rev. Lett. 103, 196401 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.196401
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 196401
-
-
Spanu, L.1
Sorella, S.2
Galli, G.3
|