collaborators

1 paper

cond-mat.other2007

Troubleshooting Time-Dependent Density-Functional Theory for Photochemical Applications: Oxirane

Felipe Cordova, L. Joubert Doriol, Andrei Ipatov +3

The development of analytic-gradient methodology for excited states within conventional time-dependent density-functional theory (TDDFT) would seem to offer a relatively inexpensiv…