Electric field poled polymeric nonlinear optical systems: Molecular dynamics simulations of poly(methyl methacrylate) doped with disperse red chromophores

Article Abstract:

A complete procedure is described for the simulations of electric field poled polymeric nonlinear optical systems in order to evaluate the macroscopic electro-optic coefficients. The results are used to predict the absolute macroscopic electro-optic coefficient values along with deriving the macroscopic origin of these values in terms of geometric and electronic structure, loading, poling and back-relaxation effects.

Electric properties, Molecular dynamics, Optical properties

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Quantum-classical modeling of nonlinear pulse propagation in a dissolved two-photon active chromophore

Article Abstract:

The implications of a quantum-classical approach for modeling two-photon absorption of organic chromophores in solution are described. This method integrates many-photon absorption dynamic simulations with quantum chemical first principles calculations of corresponding excitation energies and transition matrix elements.

Quantum chemistry, Properties, Electrostatic interactions, Chemical properties, Coulomb excitation

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Theoretical simulations of clamping levels in optical power limiting

Article Abstract:

Multiphysics modeling, combining quantum mechanical and classical wave mechanical theories, of clamping levels are performed for a platinum(II) organic compound in a sol-gel glass matrix. A clamping level of 2.5 muJ is found for a pulse duration of 10 ns.

Quantum theory, Quantum mechanics, Platinum compounds, Mechanical properties

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