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Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond.
Tavernelli I, Curchod BF, Laktionov A, Rothlisberger U. Tavernelli I, et al. J Chem Phys. 2010 Nov 21;133(19):194104. doi: 10.1063/1.3503765. J Chem Phys. 2010. PMID: 21090851
Recently, we have proposed a scheme for the calculation of nonadiabatic couplings and nonadiabatic coupling vectors within linear response time-dependent density functional theory using a set of auxiliary many-electron wavefunctions [I. Tavernelli, E. Tapavicza, and …
Recently, we have proposed a scheme for the calculation of nonadiabatic couplings and nonadiabatic coupling vectors within linear response t …
Excited state dynamics with quantum trajectories.
Curchod BF, Rothlisberger U, Tavernelli I. Curchod BF, et al. Among authors: tavernelli i. Chimia (Aarau). 2012;66(4):174-7. doi: 10.2533/chimia.2012.174. Chimia (Aarau). 2012. PMID: 22613143 Free article.
A simple approach to room temperature phosphorescent allenylidene complexes.
Kessler F, Curchod BF, Tavernelli I, Rothlisberger U, Scopelliti R, Di Censo D, Grätzel M, Nazeeruddin MK, Baranoff E. Kessler F, et al. Among authors: tavernelli i. Angew Chem Int Ed Engl. 2012 Aug 6;51(32):8030-3. doi: 10.1002/anie.201203329. Epub 2012 Jun 29. Angew Chem Int Ed Engl. 2012. PMID: 22753404 No abstract available.
126 results