Castro Neto, 2009, Rev. Mod. Phys., 81, 109, 10.1103/RevModPhys.81.109
Porezag, 1995, Phys. Rev. B, 51, 12947, 10.1103/PhysRevB.51.12947
Elstner, 1998, Phys. Rev. B, 58, 7260, 10.1103/PhysRevB.58.7260
Elstner, 2000, Phys. Stat. Sol. (b), 217, 357, 10.1002/(SICI)1521-3951(200001)217:1<357::AID-PSSB357>3.0.CO;2-J
Frauenheim, 2000, Phys. Stat. Sol. (b), 217, 41, 10.1002/(SICI)1521-3951(200001)217:1<41::AID-PSSB41>3.0.CO;2-V
Koskinen, 2007, Phys. Rev. Lett., 98, 015701, 10.1103/PhysRevLett.98.015701
Jackson, 2004, Phys. Rev. Lett., 93, 013401, 10.1103/PhysRevLett.93.013401
Koskinen, 2006, New J. Phys., 8, 9, 10.1088/1367-2630/8/1/009
Koskinen, 2008, Phys. Rev. Lett., 101, 115502, 10.1103/PhysRevLett.101.115502
Bitzek, 2006, Phys. Rev. Lett., 97, 170201, 10.1103/PhysRevLett.97.170201
Malola, 2008, Phys. Rev. B, 77, 155412, 10.1103/PhysRevB.77.155412
Köhler, 2005, Chem. Phys., 309, 23, 10.1016/j.chemphys.2004.03.034
Frauenheim, 2002, J. Phys.: Condens. Matter, 14, 3015, 10.1088/0953-8984/14/11/313
Seifert, 2007, J. Chem. Phys. A, 111, 5609, 10.1021/jp069056r
Otte, 2007, J. Phys. Chem. A, 111, 5751, 10.1021/jp0700130
Elstner, 2007, J. Phys. Chem. A, 111, 5614, 10.1021/jp071338j
Seifert, 1986, Z. Phys. Chem., 267, 529
Foulkes, 1989, Phys. Rev. B, 39, 12520, 10.1103/PhysRevB.39.12520
Sankey, 1989, Phys. Rev. B, 40, 3979, 10.1103/PhysRevB.40.3979
Frauenheim, 1995, Phys. Rev. B, 52, 11492, 10.1103/PhysRevB.52.11492
Seifert, 1996, Int. J. Quant. Chem., 58, 185, 10.1002/(SICI)1097-461X(1996)58:2<185::AID-QUA7>3.0.CO;2-U
Widany, 1996, Phys. Rev. B, 53, 4443, 10.1103/PhysRevB.53.4443
Liu, 1995, Phys. Rev. B, 52, 10677, 10.1103/PhysRevB.52.10677
Todorov, 2001, J. Phys.: Condens. Matter, 13, 10125, 10.1088/0953-8984/13/45/302
Torralva, 2001, Phys. Rev. B, 64, 153105, 10.1103/PhysRevB.64.153105
Niehaus, 2005, Eur. Phys. J., D 35, 467
Reimers, 2007, J. Phys. Chem. A, 111, 5692, 10.1021/jp070598y
Niehaus, 2001, Phys. Rev. B, 63, 085108, 10.1103/PhysRevB.63.085108
Hotbit wiki at <https://trac.cc.jyu.fi/projects/hotbit>.
<http://www.gnu.org/licenses/gpl.html>.
ASE wiki at <https://wiki.fysik.dtu.dk/ase/>.
Bernstein, 2002, Phys. Rev. B, 66, 075212, 10.1103/PhysRevB.66.075212
Mulliken, 1955, J. Chem. Phys., 23, 1833, 10.1063/1.1740588
Junquera, 2001, Phys. Rev. B, 64, 235111, 10.1103/PhysRevB.64.235111
Slater, 1954, Phys. Rev., 94, 1498, 10.1103/PhysRev.94.1498
Pople, 1962, J. Chem. Phys., 37, 53, 10.1063/1.1732974
Boykin, 2001, Phys. Rev. B, 63, 245314, 10.1103/PhysRevB.63.245314
Graf, 1995, Phys. Rev. B, 51, 4940, 10.1103/PhysRevB.51.4940
Mortensen, 2005, Phys. Rev. B, 71, 035109, 10.1103/PhysRevB.71.035109
GPAW wiki at <https://wiki.fysik.dtu.dk/gpaw>.
Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Rydberg, 2003, Phys. Rev. Lett., 91, 126402, 10.1103/PhysRevLett.91.126402
Halgren, 1992, J. Am. Chem. Soc., 114, 7827, 10.1021/ja00046a032
Elstner, 2001, J. Chem. Phys., 114, 5149, 10.1063/1.1329889
Koskinen, 2003, Phys. Scripta, 68, 74, 10.1238/Physica.Regular.068a00074
Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188
Malola, 2008, Phys. Rev. B, 78, 153409, 10.1103/PhysRevB.78.153409
Liu, 2006, J. Phys.:Condens. Matter, 18, 4077, 10.1088/0953-8984/18/16/014
Popov, 2004, New J. Phys., 6, 17, 10.1088/1367-2630/6/1/017
O. Kit, P. Koskinen, in preparation.
Yoon, 2006, Chem. Phys. Chem., 8, 157, 10.1002/cphc.200600524
Yin, 2009, Phys. Rev. Lett., 102, 106102, 10.1103/PhysRevLett.102.106102
A.J. Bridgeman, G. Cavigliasso, L.R. Ireland, J. Rothery, J. Chem. Soc., Dalton Trans. 2001 (2001) 2095–2108.
Börnsen, 1999, J. Phys.: Condens. Matter, 11, L287, 10.1088/0953-8984/11/25/105
Perdew, 1992, Phys. Rev. B, 45, 13244, 10.1103/PhysRevB.45.13244
Koelling, 1977, J. Phys. C, 10, 3107, 10.1088/0022-3719/10/16/019