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)

A new class of ensemble conserving algorithms for approximate quantum dynamics : Theoretical formulation and model problems

J. A. Poulsen, G. Nyman, P. J. Rossky

J . Chem . Phys .

2011

An approach for generating trajectorybased dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics . I . Theories

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J . Chem . Phys .

2011

An approach for generating trajectorybased dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics . II . Thermal correlation functions