activity
20092026
most citedRungs 1 to 4 of DFT Jacob's ladder: extensive test on the lattice constant, bulk modulus, and cohesive energy of solids

258 citations · 1.4k across the 31 of their papers we have counts for

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Showing 2012Show all

2 papers · 1 filter

cond-mat.mtrl-sci2012★ 25 cited

Application of screened hybrid functionals to the bulk transition metals Rh, Pd, and Pt

Fabien Tran, David Koller, Peter Blaha

We present the results of calculations on bulk transition metals Rh, Pd, and Pt using the screened hybrid functional YS-PBE0 [F. Tran and P. Blaha, Phys. Rev. B \textbf{83}, 235118…

cond-mat.str-el2012★ 52 cited

Electronic structure of CrN: A comparison between different exchange correlation potentials

A. S. Botana, F. Tran, V. Pardo +2

We report a series of electronic structure calculations for CrN using different exchange correlation potentials: PBE, LDA+, the Tran-Blaha modified Becke-Johnson, and hybrid fun…