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Effects of non-linear coupling between the system and the bath vibrationalmodes on the system internal conversion dynamics are investigated using theDirac-Frenkel variational approach with the defined sD2 ansatz. It explicitlyaccounts for the entangled system electron-vibrational wavepacket states, whilethe bath quantum harmonic oscillator (QHO) states are expanded in asuperposition of coherent states (CS). Using a non-adiabatically coupledthree-level model, we show that quadratic system-bath coupling inducesnon-reversible internal conversion when the bath QHO wavepacket representationis highly non-Gaussian. The quadratic coupling results in a broadened andasymmetrically squeezed bath QHO wavepackets in the coordinate-momentum phasespace. Additionally, we found that computational effort can be reduced usingdegenerate CSs to represent the initial bath wavepackets.

Modeling Non-Reversible Molecular Internal Conversion Using the Time-dependent Variational Approach with sD2 Ansatz