-
2
-
-
34248674400
-
Metal hydride materials for solid hydrogen storage: A review
-
DOI 10.1016/j.ijhydene.2006.11.022, PII S0360319906005866
-
B. Sakintuna, F. Lamari-Darkrim, and M. Hirscher, Int. J. Hydrogen Energy IJHEDX 0360-3199 10.1016/j.ijhydene.2006.11.022 32, 1121 (2007). (Pubitemid 46777202)
-
(2007)
International Journal of Hydrogen Energy
, vol.32
, Issue.9
, pp. 1121-1140
-
-
Sakintuna, B.1
Lamari-Darkrim, F.2
Hirscher, M.3
-
4
-
-
1842430965
-
-
CHREAY 0009-2665 10.1021/cr030691s
-
W. Grochala and P. P. Edwards, Chem. Rev. CHREAY 0009-2665 10.1021/cr030691s 104, 1283 (2004).
-
(2004)
Chem. Rev.
, vol.104
, pp. 1283
-
-
Grochala, W.1
Edwards, P.P.2
-
5
-
-
0041901975
-
-
CHREAY 0009-2665 10.1021/cr60306a004
-
T. J. Marks and J. R. Kolb, Chem. Rev. CHREAY 0009-2665 10.1021/cr60306a004 77, 263 (1977).
-
(1977)
Chem. Rev.
, vol.77
, pp. 263
-
-
Marks, T.J.1
Kolb, J.R.2
-
6
-
-
33747772739
-
Mechanochemical synthesis and thermal decomposition of zinc borohydride
-
DOI 10.1016/j.jallcom.2005.11.045, PII S0925838805017731
-
E. Jeon and Y. Cho, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.11.045 422, 273 (2006). (Pubitemid 44278545)
-
(2006)
Journal of Alloys and Compounds
, vol.422
, Issue.1-2
, pp. 273-275
-
-
Jeon, E.1
Cho, Y.2
-
7
-
-
45449085655
-
-
JALCEU 0925-8388 10.1016/j.jallcom.2007.08.028
-
S. Srinivasan, D. Escobar, M. Jurczyk, Y. Goswami, and E. Stefanakos, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2007.08.028 462, 294 (2008).
-
(2008)
J. Alloys Compd.
, vol.462
, pp. 294
-
-
Srinivasan, S.1
Escobar, D.2
Jurczyk, M.3
Goswami, Y.4
Stefanakos, E.5
-
8
-
-
84871600069
-
-
13-16 June 2006, Lyon, France (unpublished)
-
S. Srinivasan, E. Stefanakos, and Y. Goswami, in Proceedings of the 16th World Hydrogen Energy Congress, 13-16 June 2006, Lyon, France (unpublished).
-
(2006)
Proceedings of the 16th World Hydrogen Energy Congress
-
-
Srinivasan, S.1
Stefanakos, E.2
Goswami, Y.3
-
9
-
-
43049133209
-
-
IJHEDX 0360-3199 10.1016/j.ijhydene.2008.02.062
-
S. Srinivasan, D. Escobar, Y. Goswami, and E. Stefanakos, Int. J. Hydrogen Energy IJHEDX 0360-3199 10.1016/j.ijhydene.2008.02.062 33, 2268 (2008).
-
(2008)
Int. J. Hydrogen Energy
, vol.33
, pp. 2268
-
-
Srinivasan, S.1
Escobar, D.2
Goswami, Y.3
Stefanakos, E.4
-
10
-
-
33746633025
-
Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments
-
DOI 10.1103/PhysRevB.74.045126
-
Y. Nakamori, K. Miwa, A. Ninomiya, H. Li, N. Ohba, S.-i. Towata, A. Züttel, and S.-i. Orimo, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74. 045126 74, 045126 (2006). (Pubitemid 44144203)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.4
, pp. 045126
-
-
Nakamori, Y.1
Miwa, K.2
Ninomiya, A.3
Li, H.4
Ohba, N.5
Towata, S.-I.6
Zuttel, A.7
Orimo, S.-I.8
-
13
-
-
10644250257
-
-
PHRVAO 0031-899X 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
14
-
-
0042113153
-
-
PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
W. Kohn and L. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.2
-
15
-
-
43049128533
-
Density functional theory for hydrogen storage materials: Successes and opportunities
-
DOI 10.1088/0953-8984/20/6/064229, PII S0953898408636759
-
L. G. Hector, Jr., and J. F. Herbst, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/6/064229 20, 064229 (2008). (Pubitemid 351622664)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.6
, pp. 064229
-
-
Hector Jr., L.G.1
Herbst, J.F.2
-
16
-
-
79961061794
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.144111
-
D. S. Aidhy and C. Wolverton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.144111 83, 144111 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 144111
-
-
Aidhy, D.S.1
Wolverton, C.2
-
17
-
-
41649118739
-
Ni-induced destabilization dynamics of crystalline zinc borohydride
-
DOI 10.1063/1.2905275
-
P. Choudhury, V. R. Bhethanabotla, and E. Stefanakos, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2905275 92, 134101 (2008). (Pubitemid 351483720)
-
(2008)
Applied Physics Letters
, vol.92
, Issue.13
, pp. 134101
-
-
Choudhury, P.1
Bhethanabotla, V.R.2
Stefanakos, E.3
-
18
-
-
33747454614
-
High hydrogen content complex hydrides: A density-functional study
-
DOI 10.1063/1.2217159
-
M. P. Vajeeston, P. Ravindran, A. Kjekshus, and H. Fjellvåg, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2217159 89, 071906 (2006). (Pubitemid 44259920)
-
(2006)
Applied Physics Letters
, vol.89
, Issue.7
, pp. 071906
-
-
Vajeeston, P.1
Ravindran, P.2
Kjekshus, A.3
Fjellvag, H.4
-
19
-
-
41549168663
-
First-principles prediction of a ground state crystal structure of magnesium borohydride
-
DOI 10.1103/PhysRevLett.100.135501
-
V. Ozolins, E. H. Majzoub, and C. Wolverton, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.135501 100, 135501 (2008). (Pubitemid 351474039)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 135501
-
-
Ozolins, V.1
Majzoub, E.H.2
Wolverton, C.3
-
20
-
-
63849172450
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/1/012203
-
J. Voss, J. S. Hummelshoj, Z. Łodziana, and T. Vegge, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/1/012203 21, 012203 (2009).
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 012203
-
-
Voss, J.1
Hummelshoj, J.S.2
Łodziana, Z.3
Vegge, T.4
-
21
-
-
2942692078
-
-
JCPSA6 0021-9606 10.1063/1.1724816
-
S. Goedecker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1724816 120, 9911 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9911
-
-
Goedecker, S.1
-
22
-
-
78650407021
-
-
JCPSA6 0021-9606 10.1063/1.3512900
-
M. Amsler and S. Goedecker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3512900 133, 224104 (2010).
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 224104
-
-
Amsler, M.1
Goedecker, S.2
-
23
-
-
2442537377
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
24
-
-
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. Furthmüller, Comput. Mater. 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
-
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
-
27
-
-
1842816907
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
-
H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
28
-
-
84871547145
-
-
See http://stokes.byu.edu/findsym.html.
-
-
-
-
29
-
-
41549142639
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.104115
-
E. H. Majzoub and V. Ozolins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.104115 77, 104115 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 104115
-
-
Majzoub, E.H.1
Ozolins, V.2
-
30
-
-
77953115301
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.104.215501
-
A. Tekin, R. Caputo, and A. Zuttel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.215501 104, 215501 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 215501
-
-
Tekin, A.1
Caputo, R.2
Zuttel, A.3
-
31
-
-
33846852613
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.085411
-
W. Hellmann, R. G. Hennig, S. Goedecker, C. J. Umrigar, B. Delley, and T. Lenosky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.085411 75, 085411 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 085411
-
-
Hellmann, W.1
Hennig, R.G.2
Goedecker, S.3
Umrigar, C.J.4
Delley, B.5
Lenosky, T.6
-
32
-
-
67650066785
-
-
JPCBFK 1520-6106 10.1021/jp8106793
-
S. Roy, S. Goedecker, M. J. Field, and E. Penev, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp8106793 113, 7315 (2009).
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 7315
-
-
Roy, S.1
Goedecker, S.2
Field, M.J.3
Penev, E.4
-
33
-
-
60449102523
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.041405
-
K. Bao, S. Goedecker, K. Koga, F. Lançon, and A. Neelov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.041405 79, 041405 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 041405
-
-
Bao, K.1
Goedecker, S.2
Koga, K.3
Lançon, F.4
Neelov, A.5
-
34
-
-
77955752448
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.201405
-
A. Willand, M. Gramzow, S. Alireza Ghasemi, L. Genovese, T. Deutsch, K. Reuter, and S. Goedecker, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 201405 81, 201405 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 201405
-
-
Willand, A.1
Gramzow, M.2
Alireza Ghasemi, S.3
Genovese, L.4
Deutsch, T.5
Reuter, K.6
Goedecker, S.7
-
35
-
-
79960626248
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.225502
-
S. De, A. Willand, M. Amsler, P. Pochet, L. Genovese, and S. Goedecker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.225502 106, 225502 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 225502
-
-
De, S.1
Willand, A.2
Amsler, M.3
Pochet, P.4
Genovese, L.5
Goedecker, S.6
-
36
-
-
84856752603
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.065501
-
M. Amsler, J. A. Flores-Livas, L. Lehtovaara, F. Balima, S. A. Ghasemi, D. Machon, S. Pailhès, A. Willand, D. Caliste, S. Botti, A. San Miguel, S. Goedecker, and M. A. L. Marques, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.065501 108, 065501 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 065501
-
-
Amsler, M.1
Flores-Livas, J.A.2
Lehtovaara, L.3
Balima, F.4
Ghasemi, S.A.5
MacHon, D.6
Pailhès, S.7
Willand, A.8
Caliste, D.9
Botti, S.10
San Miguel, A.11
Goedecker, S.12
Marques, M.A.L.13
-
37
-
-
84858221363
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.117004
-
J. A. Flores-Livas, M. Amsler, T. J. Lenosky, L. Lehtovaara, S. Botti, M. A. L. Marques, and S. Goedecker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.117004 108, 117004 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 117004
-
-
Flores-Livas, J.A.1
Amsler, M.2
Lenosky, T.J.3
Lehtovaara, L.4
Botti, S.5
Marques, M.A.L.6
Goedecker, S.7
-
38
-
-
84861618559
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.205505
-
M. Amsler, J. A. Flores-Livas, T. D. Huan, S. Botti, M. A. L. Marques, and S. Goedecker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108. 205505 108, 205505 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 205505
-
-
Amsler, M.1
Flores-Livas, J.A.2
Huan, T.D.3
Botti, S.4
Marques, M.A.L.5
Goedecker, S.6
-
39
-
-
84857329008
-
-
JCPSA6 0021-9606 10.1063/1.3682323
-
M. Haertelt, J. T. Lyon, P. Vlaes, J. de Haeck, P. Lievens, and A. Fielicke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3682323 136, 064301 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 064301
-
-
Haertelt, M.1
Lyon, J.T.2
Vlaes, P.3
De Haeck, J.4
Lievens, P.5
Fielicke, A.6
-
40
-
-
77954709543
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.235207
-
V. P. Markevich, A. R. Peaker, S. B. Lastovskii, L. I. Murin, J. Coutinho, V. J. B. Torres, P. R. Briddon, L. Dobaczewski, E. V. Monakhov, and B. G. Svensson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.235207 80, 235207 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 235207
-
-
Markevich, V.P.1
Peaker, A.R.2
Lastovskii, S.B.3
Murin, L.I.4
Coutinho, J.5
Torres, V.J.B.6
Briddon, P.R.7
Dobaczewski, L.8
Monakhov, E.V.9
Svensson, B.G.10
-
42
-
-
10844237909
-
-
JALCEU 0925-8388 10.1016/j.jallcom.2004.06.058
-
P. Vajeeston, P. Ravindran, A. Kjekshus, and H. Fjellvåg, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2004.06.058 387, 97 (2005).
-
(2005)
J. Alloys Compd.
, vol.387
, pp. 97
-
-
Vajeeston, P.1
Ravindran, P.2
Kjekshus, A.3
Fjellvåg, H.4
-
43
-
-
0001429353
-
-
INOCAJ 0020-1669 10.1021/ic50183a059
-
J. Brynestad and H. L. Yakel, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic50183a059 17, 1376 (1978).
-
(1978)
Inorg. Chem.
, vol.17
, pp. 1376
-
-
Brynestad, J.1
Yakel, H.L.2
-
44
-
-
68949083246
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.212102
-
X.-F. Zhou, Q.-R. Qian, J. Zhou, B. Xu, Y. Tian, and H.-T. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.212102 79, 212102 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 212102
-
-
Zhou, X.-F.1
Qian, Q.-R.2
Zhou, J.3
Xu, B.4
Tian, Y.5
Wang, H.-T.6
-
45
-
-
84871571144
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.86.224110 for additional information reported in this work.
-
-
-
-
46
-
-
70449533121
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007
-
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, and J. W. Zwanziger, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007 180, 2582 (2009).
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2582
-
-
Gonze, X.1
Amadon, B.2
Anglade, P.-M.3
Beuken, J.-M.4
Bottin, F.5
Boulanger, P.6
Bruneval, F.7
Caliste, D.8
Caracas, R.9
Cote, M.10
Deutsch, T.11
Genovese, L.12
Ghosez, Ph.13
Giantomassi, M.14
Goedecker, S.15
Hamann, D.R.16
Hermet, P.17
Jollet, F.18
Jomard, G.19
Leroux, S.20
Mancini, M.21
Mazevet, S.22
Oliveira, M.J.T.23
Onida, G.24
Pouillon, Y.25
Rangel, T.26
Rignanese, G.-M.27
Sangalli, D.28
Shaltaf, R.29
Torrent, M.30
Verstraete, M.J.31
Zerah, G.32
Zwanziger, J.W.33
more..
-
47
-
-
20144367100
-
A brief introduction to the ABINIT software package
-
DOI 10.1524/zkri.220.5.558.65066
-
X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D. R. Hamann, and D. C. Allan, Zeit. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.558.65066 220, 558 (2005). (Pubitemid 40778240)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 558-562
-
-
Gonze, X.1
Rignanese, G.-M.2
Verstraete, M.3
Beuken, J.-M.4
Pouillon, Y.5
Caracas, R.6
Jollet, F.7
Torrent, M.8
Zerah, G.9
Mikami, M.10
Ghosez, P.11
Veithen, M.12
Raty, J.-Y.13
Olevano, V.14
Bruneval, F.15
Reining, L.16
Godby, R.17
Onida, G.18
Hamann, D.R.19
Allan, D.C.20
more..
-
49
-
-
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. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). (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
-
50
-
-
43749120253
-
VESTA: A three-dimensional visualization system for electronic and structural analysis
-
DOI 10.1107/S0021889808012016, PII S0021889808012016
-
K. Momma and F. Izumi, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/S0021889808012016 41, 653 (2008). (Pubitemid 351693898)
-
(2008)
Journal of Applied Crystallography
, vol.41
, Issue.3
, pp. 653-658
-
-
Momma, K.1
Izumi, F.2
-
51
-
-
55149100594
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.134106
-
A. Togo, F. Oba, and I. Tanaka, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.134106 78, 134106 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 134106
-
-
Togo, A.1
Oba, F.2
Tanaka, I.3
-
53
-
-
34547497310
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.014121
-
L. G. Hector, Jr., J. F. Herbst, W. Wolf, P. Saxe, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.014121 76, 014121 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 014121
-
-
Hector Jr., L.G.1
Herbst, J.F.2
Wolf, W.3
Saxe, P.4
Kresse, G.5
-
54
-
-
77956517818
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.024110
-
J. F. Herbst, L. G. Hector, Jr., and W. Wolf, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.024110 82, 024110 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 024110
-
-
Herbst, J.F.1
Hector Jr., L.G.2
Wolf, W.3
-
55
-
-
67650293024
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.155113
-
J. F. Herbst and L. G. Hector, Jr., Phys. Rev. PRBMDO 1098-0121 10.1103/PhysRevB.79.155113 79, 155113 (2009).
-
(2009)
Phys. Rev.
, vol.79
, pp. 155113
-
-
Herbst, J.F.1
Hector Jr., L.G.2
-
56
-
-
84858419141
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.094104
-
M. Sassi, B. P. Uberuaga, C. R. Stanek, and N. A. Marks, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.094104 85, 094104 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 094104
-
-
Sassi, M.1
Uberuaga, B.P.2
Stanek, C.R.3
Marks, N.A.4
-
57
-
-
84863241636
-
-
JCPSA6 0021-9606 10.1063/1.3684549
-
D. Sheppard, P. Xiao, W. Chemelewski, D. D. Johnson, and G. Henkelman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3684549 136, 074103 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 074103
-
-
Sheppard, D.1
Xiao, P.2
Chemelewski, W.3
Johnson, D.D.4
Henkelman, G.5
-
58
-
-
34547139312
-
Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
-
DOI 10.1063/1.2204597
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (2006). (Pubitemid 43877849)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.21
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
59
-
-
33845870954
-
-
JCPSA6 0021-9606 10.1063/1.2403866
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2403866 125, 249901 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 249901
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Ángyán, J.G.6
-
61
-
-
0000425140
-
-
JCPSA6 0021-9606 10.1063/1.474101
-
A. Zupan, K. Burke, M. Ernzerhof, and J. P. Perdew, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474101 106, 10184 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 10184
-
-
Zupan, A.1
Burke, K.2
Ernzerhof, M.3
Perdew, J.P.4
-
62
-
-
0027677473
-
-
PHYBE3 0921-4526 10.1016/0921-4526(93)90108-I
-
J. Rodríguez-Carvajal, Physica B PHYBE3 0921-4526 10.1016/0921-4526(93)90108-I 192, 55 (1993).
-
(1993)
Physica B
, vol.192
, pp. 55
-
-
Rodríguez-Carvajal, J.1
-
63
-
-
0001271092
-
-
NATWAY 0028-1042 10.1007/BF01507527
-
V. Goldschmidt, Naturwissenschaften NATWAY 0028-1042 10.1007/BF01507527 14, 477 (1926).
-
(1926)
Naturwissenschaften
, vol.14
, pp. 477
-
-
Goldschmidt, V.1
|