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Related Experiment Video

Updated: Jul 19, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Forward-backward semiclassical initial value series representation of quantum correlation functions.

Eva Martin-Fierro1, Eli Pollak

  • 1Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovoth, Israel.

The Journal of Chemical Physics
|November 10, 2006
PubMed
Summary

The forward-backward phase space semiclassical initial value representation (FBPS-SCIVR) offers an accurate method for calculating quantum dynamics in complex systems. This leading-order approximation provides excellent results for systems with many degrees of freedom.

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Last Updated: Jul 19, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Area of Science:

  • Quantum mechanics
  • Computational chemistry
  • Theoretical physics

Background:

  • Semiclassical initial value representations (SCIVR) are crucial for simulating quantum dynamics.
  • The forward-backward (FB) approximation has made SCIVR applicable to large systems.
  • A systematic representation of exact quantum dynamics using FB-SCIVR has been lacking.

Purpose of the Study:

  • To derive and present a new formulation of the forward-backward phase space SCIVR (FBPS-SCIVR).
  • To establish FBPS-SCIVR as the leading term in a series representation of exact quantum correlation functions.
  • To validate the FBPS-SCIVR method for complex systems.

Main Methods:

  • Derivation of the forward-backward phase space SCIVR (FBPS-SCIVR) expression.
  • Application of FBPS-SCIVR to the spin boson problem for systems with over 50 degrees of freedom.
  • Comparison with numerically exact methods, specifically multiconfigurational time-dependent methods.

Main Results:

  • The FBPS-SCIVR expression enables exact quantum correlation function representation via a series expansion.
  • Numerical simulations for systems with >50 degrees of freedom demonstrate the method's efficacy.
  • The leading-order FBPS-SCIVR term shows excellent agreement with exact quantum dynamics.

Conclusions:

  • The FBPS-SCIVR provides a powerful and accurate tool for quantum dynamics simulations.
  • This method significantly advances the applicability of SCIVR to large and complex molecular systems.
  • The leading-order approximation offers a computationally efficient route to highly accurate quantum dynamics.