Theoretical methods based on linear response theory to simulate dynamics and absorption spectra of molecular polaritons DOI
Tianchu Li, Chun Huang, Shuming Bai

и другие.

The Journal of Chemical Physics, Год журнала: 2025, Номер 162(9)

Опубликована: Март 4, 2025

In this work, we first derive path integral expressions for the dynamics of molecular polaritons in microcavities. For systems with a large number molecules cavity, i.e., thermodynamic limit, it is shown that linear response theory can be employed to describe response, which further modeled by an effective harmonic bath. This leads analytical Dicke model, as well its extensions incorporate effects static disorder and coupling intramolecular vibrational degrees freedom. The hierarchical equations motion are then derived simulate polariton absorption spectra. By taking advantage nature both system bath, efficient exact diagonalization method also obtained. Similar results obtained Tavis–Cummings rotating-wave approximation model. Utilizing these theoretical findings, spectra analyze critical strength superradiant transition presence motion.

Язык: Английский

Theoretical methods based on linear response theory to simulate dynamics and absorption spectra of molecular polaritons DOI
Tianchu Li, Chun Huang, Shuming Bai

и другие.

The Journal of Chemical Physics, Год журнала: 2025, Номер 162(9)

Опубликована: Март 4, 2025

In this work, we first derive path integral expressions for the dynamics of molecular polaritons in microcavities. For systems with a large number molecules cavity, i.e., thermodynamic limit, it is shown that linear response theory can be employed to describe response, which further modeled by an effective harmonic bath. This leads analytical Dicke model, as well its extensions incorporate effects static disorder and coupling intramolecular vibrational degrees freedom. The hierarchical equations motion are then derived simulate polariton absorption spectra. By taking advantage nature both system bath, efficient exact diagonalization method also obtained. Similar results obtained Tavis–Cummings rotating-wave approximation model. Utilizing these theoretical findings, spectra analyze critical strength superradiant transition presence motion.

Язык: Английский

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