Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory

TY - GEN

T1 - Strongly Correlated Materials

T2 - Insights From Dynamical Mean-Field Theory

AU - Kotliar, Gabriel

AU - Vollhardt, Dieter

PY - 2004/3

Y1 - 2004/3

N2 - 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.

AB - 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.

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U2 - https://doi.org/10.1063/1.1712502

DO - https://doi.org/10.1063/1.1712502

M3 - Article

SN - 0031-9228

VL - 57

SP - 53

EP - 59

JO - Physics Today

JF - Physics Today

ER -