The application dynamical mean-field theory (DMFT) on material made up of correlated electrons is discussed. Density functional theory (DFT), allows to compute the total energy of some materials with remarkable accuracy, starting merely from the atomic positions and charges of the atoms. DMFT describes the full lattices of atoms and electrons with a single impurity atom imagined to exist in a bath of electrons. It is suggested that by combining DMFT with advanced electronic structure methods, it is possible to evaluate the Hamiltonians and the frequency-dependent screened Coloumb interaction from first principles without having to first construct density function.
|Original language||American English|
|Number of pages||7|
|Specialist publication||Physics Today|
|State||Published - Mar 2004|
ASJC Scopus subject areas
- Physics and Astronomy(all)