Litcius/Paper detail

Quantum Dynamics of Photodissociation: Recent Advances and Challenges

Shanyu Han, Changjian Xie, Xixi Hu, David R. Yarkony, Hua Guo, Daiqian Xie

2023The Journal of Physical Chemistry Letters15 citationsDOI

Abstract

data have revealed detailed potential landscapes in not only the ground electronic state but also excited ones. They enabled quantitatively accurate characterization of photoexcited reactive systems using quantum mechanical methods. In this Perspective, we survey the recent progress in quantum mechanical studies of adiabatic and nonadiabatic photodissociation dynamics, focusing on initial state control and product energy disposal. These new insights helped to understand quantum effects in small prototypical systems, and the results serve as benchmarks for developing more approximate theoretical methods.

Topics & Concepts

Adiabatic processExcited statePhotodissociationQuantumAb initioPotential energyQuantum dynamicsPhysicsStatistical physicsQuantum mechanicsChemistryPhotochemistryAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesQuantum, superfluid, helium dynamics