Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations

Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O.

Vibrational energy relaxation of HOD in deuterated water is investigated performing classical nonequilibrium molecular dynamics simulations. A flexible SPC/E model is employed to describe the intermolecular interactions and the intramolecular potential of the D(2)O solvent. A more accurate intramolecular potential is used for HOD. Our results for the OH stretch, OD stretch, and HOD bend vibrati...

Nonperturbative vibrational energy relaxation effects on vibrational line shapes.

A general formulation of nonperturbative quantum dynamics of solutes in a condensed phase is proposed to calculate linear and nonlinear vibrational line shapes. In the weak solute-solvent interaction limit, the temporal absorption profile can be approximately factorized into the population relaxation profile from the off-diagonal coupling and the pure-dephasing profile from the diagonal couplin...

Strong coupling theory for driven tunneling and vibrational relaxation

We investigate on a unified basis tunneling and vibrational relaxation in driven dissipative multistable systems described by their N lowest lying unperturbed levels. By use of the discrete variable representation we derive a set of coupled non-Markovian master equations. We present analytical treatments that describe the dynamics in the regime of strong system-bath coupling. Our findings are c...

Relaxation of Vibrational Excitons in Molecular-Ionic

Interest in vibrational relaxation in molecular solids has grown considerably since ultra-short puls ed laser sources made picosecond time-resolved experiments possible. Time resolved stimulated Raman (TRSR)1 and coherent antistokes Raman scattering (CARS)2 experiments are in fact useful techniques for direct measurement of the relaxation time 7: of coherently excited vibrational states. A limi...