Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics

We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain...

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Veröffentlicht in:	The Journal of chemical physics 2016-05, Vol.144 (18), p.184104-184104
Hauptverfasser:	Montoya-Castillo, Andrés, Reichman, David R.
Format:	Artikel
Sprache:	eng
Schlagworte:	Closures COMPUTER CALCULATIONS DENSITY MATRIX Dependence Dynamics EXPERIMENTAL DATA Formalism INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY KERNELS Operators Physics Properties (attributes)
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