Correlated driving-and-dissipation equation for non-Condon spectroscopy with the Herzberg-Teller vibronic coupling

TL;DR

This paper extends the correlated driving-and-dissipation equation (CODDE) to include Herzberg-Teller vibronic couplings, enabling improved modeling of non-Condon spectroscopies in molecular systems.

Contribution

The paper introduces an extension of CODDE using dissipaton-equation-of-motion theory to handle Herzberg-Teller vibronic couplings in non-Condon spectroscopy.

Findings

Successfully extended CODDE to vibronic couplings

Demonstrated application on a model dimer system

Enhanced understanding of non-Condon spectral features

Abstract

Correlated driving-and-dissipation equation (CODDE) is an optimized complete second-order quantum dissipation approach, which is originally concerned with the reduced system dynamics only. However, one can actually extract the hybridized bath dynamics from CODDE with the aid of dissipaton-equation-of-motion theory, a statistical quasi-particle quantum dissipation formalism. Treated as an one{dissipaton theory, CODDE is successfully extended to deal with the Herzberg-Teller vibronic couplings in dipole-field interactions. Demonstrations will be carried out on the non-Condon spectroscopies of a model dimer system.