Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution.

Abstract

A derivation of quantum statistical mechanics based on the concept of a Feynman path centroid is presented for the case of generalized density operators using the projected density operator formalism of Blinov and Roy [J. Chem. Phys. 115, 7822-7831 (2001)]. The resulting centroid densities, centroid symbols, and centroid correlation functions are formulated… (More)
DOI: 10.1063/1.4984229

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