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E. Fabiano, Lucian A. Constantin and F. Della Sala Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form International Journal of Quantum Chemistry 113

Article first published online: 12 MAR 2012 | DOI: 10.1002/qua.24042

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The PBEint GGA functional and its one-parameter hybrid form (hPBEint) are presented and shown to have a very balanced performance over a broad range of properties and systems. Because of these features, the PBEint and hPBEint functionals are particularly suited for applications to complex systems such as metal-molecule interfaces.

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