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Published on: February 16, 2024
Antiadiabatic View of Fast Environmental Effects on Optical Spectra
D K Andrea Phan Huu1, Rama Dhali1, Carlotta Pieroni1
1Department of Chemistry, Life Sciences and Environmental Sustainability, Parma University, Parma 43124, Italy.
Abstract:
An antiadiabatic approach is proposed to model how the refractive index of the surrounding medium affects optical spectra of molecular systems in condensed phases. The approach solves some of the issues affecting current implementations of continuum solvation models and more generally of effective models where a classical description is adopted for the molecular environment.
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