most citedSimulation of ab initio optical absorption spectrum of β-carotene with fully resolved S_{0} and S_{2} vibrational normal modes

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physics.chem-ph2023★ 7 cited

Simulation of ab initio optical absorption spectrum of β-carotene with fully resolved S_{0} and S_{2} vibrational normal modes

Mantas Jakučionis, Ignas Gaižiūnas, Juozas Šulskus +1

Electronic absorption spectrum of beta-carotene (b-Car) is studied using quantum chemistry and quantum dynamics simulations. Vibrational normal modes were computed in optimized geo…