A new kind of effective potential, which permits the calculation of the quantum partition function in classical-like way, is introduced, as well as a related effective potential, which permits to compute equilibrium averages of configuration dependent observables. A low-coupling expansion is derived in the general case, which makes possible the use of the method for ordered many-body systems. The main feature of these effective potentials is the capability to fully account for the quantum harmonic effects, so they prove much more efficient than the analogous one defined by the Wigner expansion. This framework is used for calculating the quantum pair correlation function of a two-body system and the free energy of a chain of atoms with nearest-neighbor interaction. Application with the Lennard-Jones potential is made and explicit results are shown. Our technique based on the effective potential offers an alternative to the quantum Monte Carlo approach.

Path integral approach to the thermodynamics of anharmonic phonons

1991

Abstract

A new kind of effective potential, which permits the calculation of the quantum partition function in classical-like way, is introduced, as well as a related effective potential, which permits to compute equilibrium averages of configuration dependent observables. A low-coupling expansion is derived in the general case, which makes possible the use of the method for ordered many-body systems. The main feature of these effective potentials is the capability to fully account for the quantum harmonic effects, so they prove much more efficient than the analogous one defined by the Wigner expansion. This framework is used for calculating the quantum pair correlation function of a two-body system and the free energy of a chain of atoms with nearest-neighbor interaction. Application with the Lennard-Jones potential is made and explicit results are shown. Our technique based on the effective potential offers an alternative to the quantum Monte Carlo approach.
1991
Istituto dei Sistemi Complessi - ISC
Inglese
H.A.Cerdeira, F.Guinea López, U.Weiss
Quantum Fluctuations in Mesoscopic and Macroscopic Systems
Adriatico Research Conference on Quantum Fluctuations in Mesoscopic and MacRoscopic Systems
180
195
16
9810206291
http://cds.cern.ch/record/342489
World Scientific Publishing Co. Pte. Ltd.
Singapore
SINGAPORE
03-06/07/1990
Miramare (TS), Italy
1
none
V.Tognetti; A.Cuccoli; R.Vaia
273
info:eu-repo/semantics/conferenceObject
04 Contributo in convegno::04.01 Contributo in Atti di convegno
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/118817
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