## New publication in J. Chem. Physics on calculating oxide properties with DFT+U

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In this paper we demonstrate a novel method to use linear response DFT+U in a thermodynamic cycle to more accurately calculate metal oxide properties such as band gaps and reaction energies. This was a collaborative paper with ExxonMobil. Congratulations Zhongnan!

@article{xu-2015-accur-u,
author =       "Xu, Zhongnan and Joshi, Yogesh V. and Raman, Sumathy and
Kitchin, John R.",
title =        {Accurate Electronic and Chemical Properties of 3d Transition
Metal Oxides Using a Calculated Linear Response U and a DFT +
U(V) Method},
journal =      "The Journal of Chemical Physics",
volume =       142,
number =       14,
pages =        144701,
year =         2015,
doi =          {10.1063/1.4916823},
url =
"http://scitation.aip.org/content/aip/journal/jcp/142/14/10.1063/1.4916823",
eid =          144701,
}