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20122016
most citedOptical spectra of solids obtained by time-dependent density-functional theory with the jellium-with-gap model exchange-correlation kernel

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physics.chem-ph2015

Assessment of the TCA functional in computational chemistry and solid-state physics

E. Fabiano, L. A. Constantin, A. Terentjevs +2

We assess the Tognetti-Cortona-Adamo (TCA) generalized gradient approximation correlation functional [J. Chem. Phys. 128:034101 (2008)] for a variety of electronic systems. We find…