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Ultrafast excited-state dynamics in molecules: From quantum to quantum-classical dynamics (Federica Agostini)
Friday 7 May 2021, 14:00
Federica Agostini
In this talk I will give a brief introduction on the Born-Oppenheimer approximation and its breakdown, with particular focus on the treatment of ultrafast photo-induced processes in molecular systems. First, I will describe the problem from a quantum-mechanical perspective. Then, I will present few examples of molecular-dynamics methods that are currently available to simulate ultrafast processes by invoking the so-called quantum-classical approximation. Finally, I will discuss some challenges and open questions in the field.