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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 8: A Special Issue in Honour of Professor Robert A. Harris
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Original Articles

Long-time behaviour of quantized distributions in forward–backward semiclassical dynamics

J. Liu University of Illinois, Urbana, USA
,
A. Nakayama University of Illinois, Urbana, USA
&
N. MakriCorrespondence[email protected]
Pages 1267-1274 | Received 16 Aug 2005, Accepted 20 Oct 2005, Published online: 15 Dec 2010

Citations (28)

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Xinzijian Liu & Jian Liu. (2018) Critical role of quantum dynamical effects in the Raman spectroscopy of liquid water. Molecular Physics 116:7-8, pages 755-779.
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Articles from other publishers (27)

Shreyas Malpathak & Nandini Ananth. (2023) Non-linear correlation functions and zero-point energy flow in mixed quantum–classical semiclassical dynamics. The Journal of Chemical Physics 158:10.
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Xin He, Baihua Wu, Youhao Shang, Bingqi Li, Xiangsong Cheng & Jian Liu. (2022) New phase space formulations and quantum dynamics approaches. WIREs Computational Molecular Science 12:6.
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Raz L. Benson, George Trenins & Stuart C. Althorpe. (2020) Which quantum statistics–classical dynamics method is best for water?. Faraday Discussions 221, pages 350-366.
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Xin He & Jian Liu. (2019) A new perspective for nonadiabatic dynamics with phase space mapping models. The Journal of Chemical Physics 151:2.
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Andrés Montoya-Castillo & David R. Reichman. (2017) Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths. The Journal of Chemical Physics 146:2.
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Amartya Bose & Nancy Makri. (2015) Wigner phase space distribution via classical adiabatic switching. The Journal of Chemical Physics 143:11.
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Jian Liu. (2015) Recent advances in the linearized semiclassical initial value representation/classical Wigner model for the thermal correlation function. International Journal of Quantum Chemistry 115:11, pages 657-670.
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Michael F. Herman. (2014) Improving the Efficiency of Monte Carlo Surface Hopping Calculations. The Journal of Physical Chemistry B 118:28, pages 8026-8033.
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Zhong Fang Li & Wan Zheng Ma. (2012) Numerical Simulation Method of Acoustic Wave Propagation Based on Semi-Symplectic Theory. Applied Mechanics and Materials 226-228, pages 470-473.
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Jian Liu, William H. Miller, George S. Fanourgakis, Sotiris S. Xantheas, Sho Imoto & Shinji Saito. (2011) Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio -based flexible and polarizable force field . The Journal of Chemical Physics 135:24.
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Jian Liu, Berni J. Alder & William H. Miller. (2011) A semiclassical study of the thermal conductivity of low temperature liquids. The Journal of Chemical Physics 135:11, pages 114105.
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Jian Liu. (2011) Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. The Journal of Chemical Physics 134:19.
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Jian Liu & William H. Miller. (2011) An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions. The Journal of Chemical Physics 134:10.
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Jian Liu & William H. Miller. (2011) An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories. The Journal of Chemical Physics 134:10.
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Scott Habershon & David E. Manolopoulos. (2009) Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water. The Journal of Chemical Physics 131:24.
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Jian Liu, William H. Miller, Francesco Paesani, Wei Zhang & David A. Case. (2009) Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum. The Journal of Chemical Physics 131:16.
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Jian Liu & William H. Miller. (2009) A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids. The Journal of Chemical Physics 131:7.
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Ed Bukhman & Nancy Makri. (2009) Mixed Quantum and Forward−Backward Semiclassical Dynamics. The Journal of Physical Chemistry A 113:26, pages 7183-7188.
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Jian Liu & William H. Miller. (2008) Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation. The Journal of Chemical Physics 129:12.
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Jeb Kegerreis, Akira Nakayama & Nancy Makri. (2008) Complex-time velocity autocorrelation functions for Lennard-Jones fluids with quantum pair-product propagators. The Journal of Chemical Physics 128:18.
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Jian Liu & William H. Miller. (2008) Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen. The Journal of Chemical Physics 128:14.
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Scott M. Gruenbaum & Roger F. Loring. (2008) Interference and quantization in semiclassical response functions. The Journal of Chemical Physics 128:12.
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Edward BukhmanNancy Makri. (2007) Forward−Backward Semiclassical Dynamics with Information-Guided Noise Reduction for a Molecule in Solution. The Journal of Physical Chemistry A 111:44, pages 11320-11327.
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Jian Liu & William H. Miller. (2007) Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems. The Journal of Chemical Physics 127:11, pages 114506.
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Jian Liu & William H. Miller. (2007) Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation. The Journal of Chemical Physics 126:23.
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Jeb Kegerreis & Nancy Makri. (2007) Optimized Monte Carlo sampling in forward–backward semiclassical dynamics. Journal of Computational Chemistry 28:4, pages 818-824.
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Jian Liu & William H. Miller. (2006) Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions. The Journal of Chemical Physics 125:22.
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