engleski

Quantum Treatment of Large Amplitude Motion

Here we present recently developed quantum methods capable of describing large amplitude internal motion quantitatively: (a) An Internal Coordinates Hamiltonian (b) Reaction Surface Hamiltonian Specifically, we focus on hydrogen transfer reactions in the hydrogen bonded prototype systems: acetylaceton and formic acid dimer.

acetylacetone; formic acid dimer; an internal coordinates Hamiltonian; Reaction Surface Hamiltonian method

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