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These are codes to perform quantum dynamics simulation to study the photoisomerization of the retinal chromophore in rhodopsin in both field-free space as well as in cavity-QED. (References: J. Phys. Chem. B, 121, 2017; Chemical Physics 186, 1994; J. Phys. Chem. Lett. 11, 2020; Chemical Physics Letters, 486, 2009.)

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Quantum dynamics of the photoisomerization of Rh in field-free space. The model consists of two 
electronic states and two degrees of freedom 
(the isomerization coordinate (\theta) and the C=C stretch (x)).

a) initial-wf.py: compute the initial wavefunction Psi(\theta,x,t_0). 
b) propagation.py: Computes the wavefunction Psi(theta,x,t) at each time step 
by solving the time-dependent Schrodinger equation numerically exact 
and exports the time evolution of:
1- The population of the electronic states in the adiabatic representation.
2- The population of the electronic states in the diabatic representation.
3- The probability of cis and trans isomers in the adiabatic ground and excited state. 

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These are codes to perform quantum dynamics simulation to study the photoisomerization of the retinal chromophore in rhodopsin in both field-free space as well as in cavity-QED. (References: J. Phys. Chem. B, 121, 2017; Chemical Physics 186, 1994; J. Phys. Chem. Lett. 11, 2020; Chemical Physics Letters, 486, 2009.)

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