(Q46207720)

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Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics

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scholarly article

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics (English)

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

quantum mechanics

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1

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PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

language of work or name

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publication date

1 May 2011

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

134

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

19

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

194110

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Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

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

1 reference

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

1 reference

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Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

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Quantum tunneling using entangled classical trajectories.

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Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions.

1 reference

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Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.

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Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

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Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

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A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids

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Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.

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Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics

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Including quantum effects in the dynamics of complex (i.e., large) molecular systems

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Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics.

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Vibrational energy relaxation rates via the linearized semiclassical approximation: applications to neat diatomic liquids and atomic-diatomic liquid mixtures.

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21 January 2018

Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water

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Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4).

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Simulation of dynamical properties of normal and superfluid helium.

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A comparative study of imaginary time path integral based methods for quantum dynamics.

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Quantum diffusion in liquid water from ring polymer molecular dynamics.

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21 January 2018

Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

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21 January 2018

Quantum dynamics of complex molecular systems

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21 January 2018

Electronically nonadiabatic dynamics via semiclassical initial value methods

1 reference

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21 January 2018

On the Quantum Correction For Thermodynamic Equilibrium

1 reference

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21 January 2018

Generalized Phase-Space Distribution Functions

1 reference

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21 January 2018

A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables

1 reference

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21 January 2018

Identifiers

10.1063/1.3589406

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/21599047

ResearchGate publication ID

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