Abstract
Photo dissociation dynamics of linear triatomic molecule, cyanogen chloride (ClCN) in polar medium have been explored using Fourier grid Hamiltonian (FGH) method based two-dimensional mean field methodology. Ground electronic state potential of the molecule is calibrated with coupled cluster singles and doubles (CCSD) level ab initio theory using Gaussian 03 package taking 6-311++G(3df,2pd) as the basis set and fitted with two-dimensional coupled Morse potential and this potential is used for numerical calculation. Time-integrated probability current density is used as the measure of dissociation probability. Monochromatic and bichromatic laser fields are used as the external field and dissociation probability is calculated as the function of field frequency, dipolar position and pulse shape.
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