LIBROS DEL AUTOR: matthew b garvin

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  • The Effective Potential Energy Surfaces of the Nonadiabatic Collision
    Matthew B. Garvin
    Effective potential energy surfaces (PESs) are calculated for the nonadiabatic collision. This calculation employed 1 2A2, 2 2A2, and 1 2A3 adiabatic PESs numerically calculated at the state-averaged multiconfigurational self-consistent field (SA-MCSCF)/configuration interaction (CI) level for several values of the H2 bond length, H2 orientation angle, and boron distance. The a...
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