Physical review. A, General physics · 1986 · 500 citations · 14 references
Natural SciencesPhysicsMathematical PhysicsQuantum MechanicsTheoretical PhysicsApproximation MethodsQuantum Harmonic OscillatorStatistical MechanicsAnharmonicityHarmonic Oscillator ApproximationHarmonic Oscillator Wave FunctionsPartition FunctionQuantum Partition FunctionSmearing Technique
We present a method by which a quantum-mechanical partition function can be approximated from below by an effective classical partition function. The associated potential is obtained by a simple smearing procedure. For a strongly anharmonic oscillator and a double-well potential, the lowest approximation gives a free energy which is accurate to a few percent, even at zero temperature.
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Double-Minimum Potentials in Hydrogen-Bonded Solids
R. L. Somorjai, D. F. Hornig · The Journal of Chemical Physics · 1962 · 318 citations
Natural Sciences, Chemistry, Physics +17