Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

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Commentary on “Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions”

This comment regards a recent paper by Babbush, Parkhill, and AspuruGuzik (henceforth BPA) (Babbush et al., 2013). The subject is the equilibrium thermodynamics of a system of many quantum particles with Hamiltonian Ĥ = ∑N i= 1 p̂i /(2m)+ V(q̂), where q̂ = {q̂i} and the commutator of the coordinateand momentum operators is [q̂i, p̂j] = ih̄δij. In BPA it is correctly observed (see, e.g., Hillery et al....

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ژورنال

عنوان ژورنال: Frontiers in Chemistry

سال: 2013

ISSN: 2296-2646

DOI: 10.3389/fchem.2013.00026