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20022015
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2012 · cond-mat.str-elShow all

16 papers · 2 filters

cond-mat.str-el201229 cited

Optimized Unrestricted Kohn-Sham Potentials from Ab Initio Spin Densities

Katharina Boguslawski, Christoph R. Jacob, Markus Reiher

The reconstruction of the exchange-correlation potential from accurate ab initio electron densities can provide insights into the limitations of the currently available approximate…

cond-mat.str-el201216 cited

One-dimensional itinerant interacting non-Abelian anyons

Didier Poilblanc, Adrian Feiguin, Matthias Troyer +2

We construct models of interacting itinerant non-Abelian anyons moving along one-dimensional chains. We focus on itinerant Ising (Majorana) and Fibonacci anyons, which are, respect…

cond-mat.str-el2012172 cited

Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory

Thomas Ayral, Silke Biermann, Philipp Werner

We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repu…

cond-mat.str-el201222 cited

Numerical Study of Charge Transport of Overdoped LaSrCuO within Semiclassical Boltzmann Transport Theory

Jonathan M. Buhmann, Matthias Ossadnik, T. M. Rice +1

The in-plane resistivity of the high-temperature oxide superconductor LaSrCuO [LSCO] shows a strong growth of a contribution linear in temperature as the doping…

cond-mat.str-el201250 cited

Mutual induction of magnetic 3d and 4f order in multiferroic hexagonal ErMnO3

D. Meier, H. Ryll, K. Kiefer +4

The complex interplay between the 3d and 4f moments in hexagonal ErMnO3 is investigated by magnetization, optical second harmonic generation, and neutron-diffraction measurements.…

cond-mat.str-el201214 cited

Ordering in weakly coupled random singlet spin chains

M. Thede, F. Xiao, Ch. Baines +3

The influence of bond randomness on long range magnetic ordering in the weakly coupled S = 1/2 antiferromagnetic spin chain materials Cu(py)2(Cl1-xBrx)2 is studied by muon spin rot…