L. Venkataraman, J. E. Klare, C. Nuckolls, M. S. Hybertsen, and M. L. Steigerwald, Nature (London) 0028-0836 10.1038/nature05037 442, 904 (2006).
S. Y. Quek, L. Venkataraman, Y. J. Choi, S. G. Louie, M. S. Hybertsen, and J. B. Neaton, Nano Lett. 1530-6984 10.1021/nl072058i 7, 3477 (2007).
L. Venema, Nature (London) 453, 996 (2008). 0028-0836
S. Kurth, G. Stefanucci, C. -O. Almbladh, A. Rubio, and E. K. U. Gross, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72.035308 72, 035308 (2005).
N. Bushong, N. Sai, and M. Di Ventra, Nano Lett. 1530-6984 10.1021/nl0520157 5, 2569 (2005).
X. Qian, J. Li, X. Lin, and S. Yip, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.035408 73, 035408 (2006).
M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.84.979 84, 979 (2000).
F. Evers, F. Weigend, and M. Koentopp, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.235411 69, 235411 (2004).
M. Koentopp, C. Chang, K. Burke, and R. Car, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/20/8/083203 20, 083203 (2008).
L. Keldysh, Sov. Phys. JETP 20, 1018 (1965). 0038-5646
M. Brandbyge, J. L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002).
C. Toher, A. Filippetti, S. Sanvito, and K. Burke, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.95.146402 95, 146402 (2005).
H. J. Choi, M. L. Cohen, and S. G. Louie, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76.155420 76, 155420 (2007).
A. Beste, V. Meunier, and R. J. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.2905219 128, 154713 (2008).
A. Calzolari, N. Marzari, I. Souza, and M. Buongiorno Nardelli, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.035108 69, 035108 (2004).
M. Strange, I. S. Kristensen, K. S. Thygesen, and K. W. Jacobsen, J. Chem. Phys. 0021-9606 10.1063/1.2839275 128, 114714 (2008).
P. Delaney and J. C. Greer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.036805 93, 036805 (2004).
A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, M. J. Caldas, M. Buongiorno Nardelli, and E. Molinari, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.94.116802 94, 116802 (2005).
K. Thygesen, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.100.166804 100, 166804 (2008).
P. Myöhänen, A. Stan, G. Stefanucci, and R. van Leeuwen, Europhys. Lett. 84, 67001 (2008). 0295-5075
A. Cehovin, H. Mera, J. H. Jensen, K. Stokbro, and T. B. Pedersen, Phys. Rev. B 0163-1829 10.1103/PhysRevB.77.195432 77, 195432 (2008).
C. Verdozzi, G. Stefanucci, and C. -O. Almbladh, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.97.046603 97, 046603 (2006).
T. Frederiksen, M. Paulsson, M. Brandbyge, and A. -P. Jauho, Phys. Rev. B 0163-1829 10.1103/PhysRevB.75.205413 75, 205413 (2007).
M. Galperin, A. Nitzan, and M. A. Ratner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.78.125320 78, 125320 (2008).
P. Bokes and R. W. Godby, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69. 245420 69, 245420 (2004).
P. Bokes, J. Jung, and R. Godby, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76.125433 76, 125433 (2007).
N. Sai, M. Zwolak, G. Vignale, and M. Di Ventra, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.94.186810 94, 186810 (2005).
J. Jung, P. Bokes, and R. W. Godby, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.259701 98, 259701 (2007).
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
H. Bruus and K. Flensberg, Many-body Quantum Theory in Condensed Matter Physics: An Introduction (Oxford University Press, New York, 2004).
P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 10.1103/PhysRev.136.B864 136, B864 (1964).
W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 10.1103/PhysRev.140.A1133 140, 1133 (1965).
X. Gonze, J. -M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. -M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J. -Y. Raty, and D. C. Allan, Comput. Mater. Sci. 0927-0256 10.1016/S0927-0256(02)00325-7 25, 478 (2002).
S. Boeck, C. Freysoldt, A. Alsharif, A. Dick, L. Ismer, A. Qteish, and J. Neugebauer, http://www.sfhingx.de.
N. Troullier and J. L. Martins, Phys. Rev. B 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 0163-1829 10.1103/PhysRevB.26.1738 26, 1738 (1982).
H. N. Rojas, R. W. Godby, and R. J. Needs, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.74.1827 74, 1827 (1995).
A. Maeland and T. Flanagan, Can. J. Phys. 42, 2364 (1964). 0008-4204
D. Sanchez-Portal, E. Artacho, J. Junquera, P. Ordejon, A. Garcia, and J. M. Soler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83.3884 83, 3884 (1999).
C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B 0163-1829 10.1103/PhysRevB.58.3641 58, 3641 (1998).
A. Marini, G. Onida, and R. Del Sole, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.016403 88, 016403 (2001).
M. Shishkin and G. Kresse, Phys. Rev. B 0163-1829 10.1103/PhysRevB.74. 035101 74, 035101 (2006).
P. E. Blöchl, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
P. Jelínek, R. Ṕrez, J. Ortega, and F. Flores, Phys. Rev. B 0163-1829 10.1103/PhysRevB.77.115447 77, 115447 (2008).