Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Videos

Quantum-classical limit of quantum correlation functions.

Alessandro Sergi¹, Raymond Kapral

¹Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada. asergi@chem.utoronto.ca

The Journal of Chemical Physics

|October 16, 2004

Summary

This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

The quantum-classical complexity of consciousness and orchestrated objective reduction.

Frontiers in human neuroscience·2025

Same author

Technology Roadmap of Micro/Nanorobots.

ACS nano·2025

Same author

Dynamics of quantum-classical systems in nonequilibrium environments.

The Journal of chemical physics·2025

Same author

Self-assembly of chemical shakers.

The Journal of chemical physics·2024

Same author

Chemical Logic Gates on Active Colloids.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2024

Same author

Clustering of chemically propelled nanomotors in chemically active environments.

Chaos (Woodbury, N.Y.)·2024

Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026

Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026

Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026

Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026

Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026

Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026

See all related articles

This study derives a quantum-classical limit for time correlation functions in quantum systems. This method allows simulating transport properties using quantum-classical surface-hopping dynamics.

Area of Science:

Quantum mechanics
Statistical mechanics
Computational chemistry

Background:

Simulating quantum systems is computationally challenging.
Understanding transport properties requires accurate dynamics.
Existing methods often struggle with quantum effects in complex systems.

Purpose of the Study:

To derive a quantum-classical limit for canonical equilibrium time correlation functions.
To develop a method for simulating transport properties of quantum systems.
To bridge the gap between quantum descriptions and classical simulations.

Main Methods:

Derivation of the quantum-classical limit for the time correlation function.
Utilizing a quantum-classical Liouville operator for time evolution.

Related Experiment Videos

Retaining the full equilibrium canonical statistical description for initial conditions.

Main Results:

A novel quantum-classical correlation function expression is derived.
The method is applicable to systems with light particles in a heavy particle bath.
Enables simulation of transport properties using quantum-classical surface-hopping dynamics.

Conclusions:

The derived quantum-classical limit provides a practical approach for simulating quantum system dynamics.
This method facilitates the study of transport properties by combining quantum-classical dynamics with equilibrium structure sampling.
Offers a pathway to more accurate simulations of complex quantum-classical systems.