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arXiv:1112.6139 · Physical Review E

Quantum statistics and thermodynamics in the harmonic approximation

J. R. Armstrong, Nikolaj Thomas Zinner, D. V. Fedorov, A. S. Jensen

Published Feb 10, 2012• 19 citations
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Abstract

We describe a method to compute thermodynamic quantities in the harmonic approximation for identical bosons and fermions in an external confining field. We use the canonical partition function where only energies and their degeneracies enter. The number of states of given energy and symmetry is found by separating the center-of-mass motion, and by counting the remaining states of given symmetry and excitation energy of the relative motion. The oscillator frequencies that enter the harmonic Hamiltonian can be derived from realistic model parameters, and the method corresponds to an effective interaction approach based on harmonic interactions. To demonstrate the method, we apply it to systems in two dimensions. Numerical calculations are compared to a brute force method, which is considerably more computationally intensive.

DOI
10.1103/physreve.85.021117

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We describe a method to compute thermodynamic quantities in the harmonic approximation for identical bosons and fermions in an external confining field. We use the canonical partition function where only energies and their degeneracies enter. The number of states of given energy and symmetry is found by separating the center-of-mass motion, and by counting the remaining states of given symmetry and excitation energy of the relative motion. The oscillator frequencies that enter the harmonic Hamiltonian can be derived from realistic model parameters, and the method corresponds to an effective interaction approach based on harmonic interactions. To demonstrate the method, we apply it to systems in two dimensions. Numerical calculations are compared to a brute force method, which is considerably more computationally intensive.
We consider the energetics and structural properties of a many-particle system in one dimension with pairwise contact interactions confined in a parabolic external potential. To render the problem analytically solvable, we use the harmonic approximation scheme at the level of the Hamiltonian. We investigate the scaling with particle number of the ground-state energies for systems consisting of identical bosons or fermions. We then proceed to focus on bosonic systems and make a detailed comparison with known exact results in the absence of the parabolic external trap for three-body systems. We also consider the thermodynamics of the harmonic model, which turns out to be similar for bosons and fermions due to the lack of degeneracy in one dimension.
We consider an analytic way to make the interacting N -body problem tractable by using harmonic oscillators in place of the relevant two-body interactions. The two-body terms of the N -body Hamiltonian are approximated by considering the energy spectrum and radius of the relevant two-body problem which gives frequency, centre position, and zero point energy of the corresponding harmonic oscillator. Adding external harmonic one-body terms, we proceed to solve the full quantum mechanical N -body problem analytically for arbitrary masses. Energy eigenvalues, eigenmodes, and correlation functions like density matrices can then be computed analytically. As a first application of our formalism, we consider the N -boson problem in two and three dimensions where we fit the two-body interactions to agree with the well-known zero-range model for two particles in a harmonic trap. Subsequently, condensate fractions, spectra, radii, and eigenmodes are discussed as a function of dimension, boson number N , and scattering length obtained in the zero-range model. We find that energies, radii, and condensate fraction increase with scattering length as well as boson number, while radii decrease with increasing boson number. Our formalism is completely general and can also be applied to fermions, Bose–Fermi mixtures, and to more exotic geometries.
Exact solutions to many-body interacting systems of both bosonic and fermionic particles confined to harmonic potential in an arbitrary number of dimensions are given. Energy levels and their degeneracies for trapped identical particles interacting via harmonic forces are calculated. This specific form of the interaction allows for analytical solutions. The mutual interaction, attractive or repulsive, modifies significantly the properties of the considered system. For a large number of particles the interaction essentially results in a frequency shift. Statistical properties (e.g., microcanonical and grand canonical partition functions) as well as some illustrative, physically relevant examples are discussed. Our results give an unusual opportunity for further studies of interacting systems in the framework of the exactly soluble model.
The partition function, a fundamental tenet in statistical thermodynamics, contains in principle all thermodynamic information about a system. It encapsulates both microscopic information through the quantum energy levels and statistical information from the partitioning of the particles among the available energy levels. For identical particles, this statistical accounting is complicated by the symmetry requirements of the allowed quantum states. In particular, for Fermi systems, the enforcement of the Pauli principle is typically a numerically demanding task, responsible for much of the cost of the calculations. The interplay of these three elements---the structure of the many-body spectrum, the statistical partitioning of the NNN particles among the available levels, and the enforcement of the Pauli principle---drives the behavior of mesoscopic and macroscopic Fermi systems. In this paper, we develop an approach for the determination of the partition function, a numerically difficult task, for systems of strongly interacting identical fermions and apply it to a model system of harmonically confined, harmonically interacting fermions. This approach uses a recently introduced many-body method that is an extension of the symmetry-invariant perturbation method (SPT) originally developed for bosons. It uses group theory and graphical techniques to avoid the heavy computational demands of conventional many-body methods which typically scale exponentially with the number of particles. The SPT application of the Pauli principle is trivial to implement since it is done ``on paper'' by imposing restrictions on the normal-mode quantum numbers at first order in the perturbation. The method is applied through first order and represents an extension of the SPT method to excited states. Our method of determining the partition function and various thermodynamic quantities is accurate and efficient and has the potential to yield interesting insight into the role played by the Pauli principle and the influence of large degeneracies on the emergence of the thermodynamic behavior of large-NNN systems.
The virial expansion method is applied within a harmonic approximation to an interacting N-body system of identical fermions. We compute the canonical partition functions for two and three particles to get the two lowest orders in the expansion. The energy spectrum is carefully interpolated to reproduce ground-state properties at low temperature and the noninteracting high-temperature limit of constant virial coefficients. This resembles the smearing of shell effects in finite systems with increasing temperature. Numerical results are discussed for the second and third virial coefficients as functions of dimension, temperature, interaction, and transition temperature between low- and high-energy limits.