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Showing 1 to 5 of 5 for “"Matsubara dynamics"”.
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Dissipative Matsubara Dynamics
The two most widely used path-integral chemical dynamics methods are Ring-polymer molecular dynamics (RPMD) and Centroid molecular dynamics (CMD). Both of these were originally proposed as heuristic approximations, which were justified by analytic limits and empirical evidence.In 2015, the …
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Matsubara Dynamics and its Practical Implementation
… approximate quantum time-correlation functions, Matsubara dynamics, that rigorously describes how to combine quantum statistics with classical dynamics. Matsubara dynamics is based on Feynman's path integral formulation of quantum mechanics and is expected to describe the physics of any system …
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Approximations to Matsubara Dynamics for Vibrational Spectra
… spectra, with a particular focus on anharmonic dynamics and non-fundamental transitions. All the methods investigated are approximations to Matsubara dynamics, which is a rigorous theoretical framework that recovers quantum Boltzmann-conserving classical dynamics in an extended space of smooth …
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Quasicentroid Molecular Dynamics
… time-correlation functions using the classical dynamics of coordinates subject to thermally averaged Feynman path fluctuations (“the mean field”). This theory approximates the dynamics of systems at thermal equilibrium that follow quantum Boltzmann statistics and undergo rapid quantum …
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Path-integral studies of quantum statistical effects in vibrational spectroscopy
… at finite temperatures. Our starting point is Matsubara dynamics, which rigorously combines quantum Boltzmann statistics with classical real-time trajectories, by filtering out the high-frequency components of the imaginary-time Feynman paths that are responsible for quantum coherence. Using a …