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Assessing modern GGA functionals for solids.
Labat F, Brémond E, Cortona P, Adamo C. Labat F, et al. Among authors: adamo c. J Mol Model. 2013 Jul;19(7):2791-6. doi: 10.1007/s00894-012-1646-2. Epub 2012 Nov 8. J Mol Model. 2013. PMID: 23135534
Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy.
Guido CA, Cortona P, Adamo C. Guido CA, et al. Among authors: adamo c. J Chem Phys. 2014 Mar 14;140(10):104101. doi: 10.1063/1.4867007. J Chem Phys. 2014. PMID: 24628146
We extend our previous definition of the metric deltar for electronic excitations in the framework of the time-dependent density functional theory [C. A. Guido, P. Cortona, B. Mennucci, and C. Adamo, J. Chem. Theory Comput. 9, 3118 (2013)], by including a mea …
We extend our previous definition of the metric deltar for electronic excitations in the framework of the time-dependent density functional …
398 results