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Quantum Nonadiabatic Cloning of Entangled Coherent States
We propose a systematic approach to the basis set extension for nonadiabatic
dynamics of entangled combination of nuclear coherent states (CSs) evolving
according to the time-dependent variational principle (TDVP). TDVP provides a
rigorous framework for fully quantum nonadiabatic dynamics of closed systems,
however, quality of results strongly depends on available basis functions.
Starting with a single nuclear CS replicated vertically on all electronic
states, our approach clones this function when replicas of the CS on different
electronic states experience increasingly different forces. Created clones move
away from each other (decohere) extending the basis set. To determine a moment
for cloning we introduce generalized forces based on derivatives that maximally
contribute to a variation of the total quantum action and thus account for
entanglement of all basis functions.Comment: 2 fig
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