150 citations · 158 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2019★ 8 cited
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga +2
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairi…
cond-mat.other2007★ 150 cited
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…