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January 23, 2012The Journal of Chemical PhysicsOpen Access

Communication: Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons

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Authors

JPJosé J. PlataUniversidad de SevillaAMAntonio M. MárquezRede de Química e TecnologiaJSJavier Fdez. SanzMadrid Institute for Advanced Studies

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Plata et al. (2012) studied this question.

synapsesocial.com/papers/6a73d15adcf9e352178de640https://doi.org/10.1063/1.3678309
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