TY - JOUR
T1 - Exchange-energy functionals for finite two-dimensional systems
AU - Pittalis, S.
AU - Räsänen, E.
AU - Helbig, N.
AU - Gross, E. K.U.
PY - 2007/12/17
Y1 - 2007/12/17
N2 - Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.
AB - Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.
UR - https://www.scopus.com/pages/publications/37349102304
U2 - 10.1103/PhysRevB.76.235314
DO - 10.1103/PhysRevB.76.235314
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AN - SCOPUS:37349102304
SN - 1098-0121
VL - 76
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 23
M1 - 235314
ER -