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most citedImplementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set

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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…