activity
19952020
most citedFull orbital calculation scheme for materials with strongly correlated electrons

310 citations · 3.1k across the 46 of their papers we have counts for

collaborators

46 papers

cond-mat.other2020

Scaling behavior of the momentum distribution of a quantum Coulomb system in a confining potential

J. A. E. Bonart, W. H. Appelt, D. Vollhardt +1

We calculate the single-particle momentum distribution of a quantum many-particle system in the presence of the Coulomb interaction and a confining potential. The region of interme…

cond-mat.dis-nn2016★ 12 cited

Typical-medium, multiple-scattering theory for disordered systems with Anderson localization

H. Terletska, Y. Zhang, L. Chioncel +2

The typical medium dynamical cluster approximation (TMDCA) is reformulated in the language of multiple scattering theory to make possible first principles calculations of the elect…

cond-mat.mtrl-sci2016★ 7 cited

Scaling behavior of the Compton profile of alkali metals

M. Sekania, W. H. Appelt, D. Benea +3

The contribution of the valence electrons to the Compton profiles of the alkali metals is calculated using density functional theory. We show that the Compton profiles can be model…

cond-mat.dis-nn2015★ 5 cited

Spin-selective localization of correlated lattice fermions

J. Skolimowski, D. Vollhardt, K. Byczuk

The interplay between local, repulsive interactions and disorder acting only on one spin orientation of lattice fermions ("spin-dependent disorder") is investigated. The nonmagneti…

cond-mat.str-el2014★ 61 cited

Metal-Insulator Transition and Lattice Instability of Paramagnetic V2O3

I. Leonov, V. I. Anisimov, D. Vollhardt

We determine the electronic structure and phase stability of paramagnetic VO at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initi…

cond-mat.str-el2013★ 48 cited

First-principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials

I. Leonov, V. I. Anisimov, D. Vollhardt

We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determ…