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 …