Tavernelli, I.Curchod, Basile F. E.Rothlisberger, U.2010-01-042010-01-042010-01-04200910.1063/1.3265858https://infoscience.epfl.ch/handle/20.500.14299/45035WOS:000272050200042In this note, we show that the development for the calculation of nonadiabatic coupling vectors in the framework of TDDFT introduced by the authors in the series of recent publications [E. Tapavicza , Phys. Rev. Lett.98, 023001 (2007); I. Tavernelli , J. Chem. Phys.130, 124107 (2009)] is rigorous and fully equivalent to the one proposed by Sugino and co-workers [C. P. Hu , J. Chem. Phys.127, 064103 (2007)]. Specific applications of our formulation are also discussed.density functional theoryexcited statesground statestext::journal::journal article::research article