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.
Antiadiabatic View of Fast Environmental Effects on Optical Spectra / Phan Huu, Dang Khoa Andrea; Dhali, Rama; Pieroni, Carlotta; Di Maiolo, Francesco; Sissa, Cristina; Terenziani, Francesca; Painelli, Anna. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 124:10(2020), p. 107401. [10.1103/PhysRevLett.124.107401]
Antiadiabatic View of Fast Environmental Effects on Optical Spectra
Phan Huu, Dang Khoa Andrea;Dhali, Rama;Pieroni, Carlotta;Di Maiolo, Francesco;Sissa, Cristina;Terenziani, Francesca;Painelli, Anna
2020-01-01
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.| File | Dimensione | Formato | |
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