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- W1997995005 abstract "We show a new imaginary time path integral based method—path integral Liouville dynamics (PILD), which can be derived from the equilibrium Liouville dynamics [J. Liu and W. H. Miller, J. Chem. Phys. 134, 104101 (2011)] in the Wigner phase space. Numerical tests of PILD with the simple (white noise) Langevin thermostat have been made for two strongly anharmonic model problems. Since implementation of PILD does not request any specific form of the potential energy surface, the results suggest that PILD offers a potentially useful approach for general condensed phase molecular systems to have the two important properties: conserves the quantum canonical distribution and recovers exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits." @default.
- W1997995005 created "2016-06-24" @default.
- W1997995005 creator A5028965445 @default.
- W1997995005 date "2014-06-11" @default.
- W1997995005 modified "2023-09-28" @default.
- W1997995005 title "Path integral Liouville dynamics for thermal equilibrium systems" @default.
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- W1997995005 doi "https://doi.org/10.1063/1.4881518" @default.
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