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Local variational principle.

Cristian Predescu1

  • 1Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA. Cristian_Predescu@brown.edu

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|January 7, 2003
PubMed
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A new method provides a better lower bound for quantum system properties, outperforming existing techniques like the Gibbs-Bogoliubov-Feynman inequality, especially at low temperatures.

Area of Science:

  • Quantum mechanics
  • Statistical mechanics

Background:

  • The Gibbs-Bogoliubov-Feynman inequality is a key tool for approximating quantum systems.
  • Accurate approximations are crucial for understanding systems at finite temperatures.

Purpose of the Study:

  • To generalize the Gibbs-Bogoliubov-Feynman inequality for spinless particles.
  • To introduce a local variational principle for improved accuracy.

Main Methods:

  • A generalized Gibbs-Bogoliubov-Feynman inequality was proven.
  • The method was applied to a symmetric double-well quartic potential.
  • The Trotter composition rule was used for systematic improvement.

Main Results:

  • A pointwise lower bound for the finite-temperature density matrix was obtained.

Related Experiment Videos

  • Ground state energies superior to the Rayleigh-Ritz principle were achieved.
  • The local variational principle demonstrated superior performance at low temperatures.
  • Conclusions:

    • The generalized inequality offers a powerful tool for quantum system analysis.
    • The local variational principle is particularly effective for low-temperature regimes.
    • This approach provides a more accurate and improvable method for quantum approximations.