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arXiv · 1909.03398

Antiadiabatic View of Fast Environmental Effects on Optical Spectra

D. K. Andrea Phan Huu·Rama Dhali·Carlotta Pieroni·Francesco Di Maiolo·Cristina Sissa·Francesca Terenziani·Anna Painelli
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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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D. K. Andrea Phan Huu, Rama Dhali, Carlotta Pieroni, Francesco Di Maiolo, Cristina Sissa, Francesca Terenziani, Anna Painelli. 2020-03-10. Antiadiabatic View of Fast Environmental Effects on Optical Spectra. https://doi.org/10.1103/physrevlett.124.107401

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