Since its theoretical foundation established in the 1960s [1, 2], Density Functional Theory (DFT) has increasingly gained attention, and, in fact, has become nowadays a standard tool for electronic structure calculations of atoms, molecules, solids and complex materials. Although DFT is an exact theory for ground state properties for any electronic system, an approximate treatment of the so-called exchange-correlation (xc) energy is required in practical applications...
|Titolo:||Efficient calculation of RPA correlation energy in the Adiabatic Connection Fluctuation-Dissipation Theory|
|Data di pubblicazione:||24-ott-2008|
|Appare nelle tipologie:||8.1 PhD thesis|