Study of the vibronic coupling in the first excited state of MgCH3 radical

Rachid Drissi EL Bouzaidi, Brahim El Merbouh, Malika Bourjila, Rachida Tijar & Abderrahman Gridani
A methodology based on the crude adiabatic approximation is used to study the complete linear and quadratic vibronic coupling in the first excited state of MgCH3 radical. Firstly we evaluate 30 integrals intervening in the formulation of the vibronic coupling and which are used to build the representation of the hamiltonian. Secondly, we diagonalize this representation to evaluate the vibronic levels. For the lowest excited vibronic states, the implied modes are Q1 (symmetric C-Mg stretching)...
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