output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2016Show all

5 papers · 1 filter

cond-mat.other2016★ 6 cited

Spooky correlations and unusual van der Waals forces between gapless and near-gapless molecules

John F. Dobson, Andreas Savin, Janos G. Angyan +1

We consider the zero-temperature van der Waals interaction between two molecules, each of which has a zero or near-zero electronic gap between a groundstate and the first excited s…

physics.chem-ph2016★ 34 cited

Dielectric matrix formulation of correlation energies in the Random Phase Approximation (RPA): inclusion of exchange effects

Bastien Mussard, Dario Rocca, Georg Jansen +1

Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the die…

cond-mat.mtrl-sci2016★ 33 cited

Anisotropic thermal expansion of bismuth from first principles

B. Arnaud, S. Lebègue, G. Raffy

Some anisotropy in both mechanical and thermodynamical properties of bismuth is expected. A combination of density functional theory total energy calculations and density functiona…

cond-mat.mtrl-sci2016★ 33 cited

Magnetic ground state and spin fluctuations in MnGe chiral magnet as studied by Muon Spin Rotation

N. Martin, M. Deutsch, F. Bert +9

We have studied by muon spin resonance (μSR) the helical ground state and fluctuating chiral phase recently observed in the MnGe chiral magnet. At low temperature, the muon polariz…

cond-mat.mtrl-sci2016★ 22 cited

Magnetovolume effect, macroscopic hysteresis and moment collapse in the paramagnetic state of cubic MnGe under pressure

N. Martin, I. Mirebeau, M. Deutsch +6

Itinerant magnets generally exhibit pressure induced transitions towards non magnetic states. Using synchrotron based X-ray diffraction and emission spectroscopy, the evolution of…