Martin Panholzer,
"The Hypernetted Chain Equations for Periodic Systems"
, in Journal of Low Temperature Physics, Vol. 187, Nummer 5, Seite(n) 639-645, 2017, ISSN: 1573-7357
Original Titel:
The Hypernetted Chain Equations for Periodic Systems
Sprache des Titels:
Englisch
Original Kurzfassung:
Starting from the general inhomogeneous Fermi hypernetted chain equations, the equations for periodic systems are derived by simple Fourier transform. It is shown how the symmetry reduces the size of the involved quantities. First results for a one-dimensional (1D) model system are presented. The results allow a reliable estimation of the numerical demand even for realistic 3D systems, such as solids. It is shown that treatment of this systems is feasible with moderate computational resources.
Forschungs-