-
1
-
-
27144525179
-
All-electron exact exchange treatment of semiconductors: Effect of core-valence interaction on band-gap and d-band position
-
DOI 10.1103/PhysRevLett.95.136402, 136402
-
S. Sharma, J. K. Dewhurst, and C. Ambrosch-Draxl, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.136402 95, 136402 (2005). (Pubitemid 41505576)
-
(2005)
Physical Review Letters
, vol.95
, Issue.13
, pp. 1-4
-
-
Sharma, S.1
Dewhurst, J.K.2
Ambrosch-Draxl, C.3
-
2
-
-
32644476284
-
Accurate and efficient method for the treatment of exchange in a plane-wave basis
-
DOI 10.1063/1.2166016
-
A. Sorouri, W. M. C. Foulkes, and N. D. M. Hine, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2166016 124, 064105 (2006). (Pubitemid 43248008)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.6
, pp. 064105
-
-
Sorouri, A.1
Foulkes, W.M.C.2
Hine, N.D.M.3
-
3
-
-
34347341704
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.205126
-
P. Carrier, S. Rohra, and A. Görling, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.205126 75, 205126 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 205126
-
-
Carrier, P.1
Rohra, S.2
Görling, A.3
-
4
-
-
44349158462
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.193110
-
J. Spencer and A. Alavi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.193110 77, 193110 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 193110
-
-
Spencer, J.1
Alavi, A.2
-
6
-
-
60949096711
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.085102
-
X. Wu, A. Selloni, and R. Car, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.085102 79, 085102 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 085102
-
-
Wu, X.1
Selloni, A.2
Car, R.3
-
7
-
-
77649235245
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.12.021
-
I. Duchemin and F. Gygi, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.12.021 181, 855 (2010).
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 855
-
-
Duchemin, I.1
Gygi, F.2
-
8
-
-
77955010483
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
-
J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115126 81, 115126 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115126
-
-
Harl, J.1
Schimka, L.2
Kresse, G.3
-
9
-
-
78649588444
-
-
JCCHDD 0192-8651 10.1002/jcc.21598
-
E. J. Bylaska, K. Tsemekhman, S. B. Baden, J. H. Weare, and H. Jonsson, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.21598 32, 54 (2011).
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 54
-
-
Bylaska, E.J.1
Tsemekhman, K.2
Baden, S.B.3
Weare, J.H.4
Jonsson, H.5
-
10
-
-
79551637051
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.045105
-
M. Betzinger, C. Friedrich, S. Blügel, and A. Görling, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.045105 83, 045105 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 045105
-
-
Betzinger, M.1
Friedrich, C.2
Blügel, S.3
Görling, A.4
-
11
-
-
0001643453
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.34.4405
-
F. Gygi and A. Baldereschi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.4405 34, 4405 (1986).
-
(1986)
Phys. Rev. B
, vol.34
, pp. 4405
-
-
Gygi, F.1
Baldereschi, A.2
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