Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory

Marco Caricato (1) , Benedetta Mennucci (1) , Jacopo Tomasi , Francesca Ingrosso (2) , Roberto Cammi , Stefano Corni , Giovanni Scalmani (3)

1 Dipartimento di Chimica e Chimica Industriale
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes
3 Gaussian, Inc.

Domaines: Chimie théorique et/ou physique

Marco Caricato, Benedetta Mennucci, Jacopo Tomasi, Francesca Ingrosso, Roberto Cammi, et al.. Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory. Journal of Chemical Physics, 2006, 124 (12), pp.124520. ⟨10.1063/1.2183309⟩. ⟨hal-01964903⟩