Multiple surface long-range interaction potentials between C ( 3 P j ) and closed-shell molecules.
A method for calculating multiple long-range interaction potentials between C (3P) and a closed-shell neutral molecule was developed and used for the determination of capture rate coefficients for collisions of C (3Pj) and Ge(1S0 with unsaturated hydrocarbons. Nine adiabatic interaction potentials were determined simultaneously at fixed orientations between the carbon atom and the molecule by diagonalizing a Hamiltonian that considers all nine C (3P) closed-shell molecule states.
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|Source:||Journal of Chemical Physics|
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