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Physical Review C

How to scale the wave functions in a simple solvable model

M. C. Cambiaggio, L. M. Sanchez, G.G. Dussel

Published Nov 1, 1997• 0 citations
Publisher

Abstract

The scaling properties of the exact wave functions in the two-level pairing model are studied and a well-defined limit, when the number of pairs goes to infinity, is found. An approximate method for obtaining the scaled wave functions is discussed. Well-known methods for relating finite-difference equations with differential ones are used, together with a semiclassical expansion. The approximate results obtained agree well with the exact ones. A comparison with the time-dependent Hartree-Fock approach is also done.

DOI
10.1103/physrevc.56.2508

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arXiv:nucl-th/0610073•Progress of Theoretical Physics•Mar 1, 2007•1 citation
The scaling properties of the exact wave functions in the two-level pairing model are studied and a well-defined limit, when the number of pairs goes to infinity, is found. An approximate method for obtaining the scaled wave functions is discussed. Well-known methods for relating finite-difference equations with differential ones are used, together with a semiclassical expansion. The approximate results obtained agree well with the exact ones. A comparison with the time-dependent Hartree-Fock approach is also done.
The thermal and the time-dependent versions of the Hartree-Fock-Bogoliubov approximation are used to describe the effects of the pairing interaction in a simple model. Similarities and differences between the two approaches are discussed. In the one-shell case analytic results are obtained which clearly show that as the degeneracy increases the exact energies tend to the limits provided by the approximate methods. A relation between the quasiparticle occupation probability and the seniority is established. In the two-shell case the time-dependent approach approximates all the families of exact states labeled by the shell seniority and gives information on the two different phase transitions present in the model. The finite-temperature method, instead, only approximates the exact energy for the lowest state of each family.
According to a theory of H. Spohn, the time-dependent Hartree (TDH) equation governs the 1-particle state in N -particle systems whose dynamics are prescribed by a non-relativistic Schrödinger equation with 2-particle interactions, in the limit N tends to infinity while the strength of the 2-particle interaction potential is scaled by 1/N .In previous work we have considered the same mean field scaling for systems of fermions, and established that the error of the time-dependent Hartree-Fock (TDHF) approximation tends to 0 as N tends to infinity.In this article we extend our results to systems of fermions with m-particle interactions (m > 2).
The study of phase transitions and critical phenomena is an area of great interest in science. Liquid to gas, ferromagnetic to paramagnetic, fluid to superfluid, insulator to conductor are a few examples of physical systems exhibiting phase transition and critical phenomena. Classical phase transitions have thermal fluctuations as the main driving force for the transition. In statistical mechanics phase transitions are associated with singularities in the free energy. These singularites only occur in the thermodynamic limit where the volume (V) and particles (N) go to infinity with the density held constant (N/V). By examining the partition function for a finite system, the function is a sum of a set number of terms. The partition function then would be analytical. It is only when an infinite number of terms are added is there a singularity in the partition function. The subject of Finite Size Scaling theory is the relation of the phenomena in a finite systems to the true phase transition of an infinite system. Finite Size Scaling theory provides a numerical method to obtain accurate results for infinite systems simply by studying corresponding small systems. The focus of this thesis is on transitions of a different nature. Quantum phase transitions (transitions that occur at absolute zero) have Heisenberg’s uncertainty principle as the driving force for the transition. In quantum mechanics, the finite size problem occurs when looking at the critical behaviour of the Hamiltonian as a function of a set of parameters. The interest is where the bound states energies become non-analytical. The size of the system is related to the number of elements in a complete basis set used to expand the exact wave function. In this thesis we present the use of the Finite Element Method (a numerical technique commonly used in engineering problems to solve partial differential equations or integral equations). Previous finite size scaling studies in quantum mechanics employed a basis set expansion of the wave function and the problem is solved variationally. Slater type basis sets were used for this purpose. In the effort to apply finite size scaling calculations for larger systems Gaussian type functions were employed however the a larger number of Gaussian functions are needed to obtain accurate results. The use of standard electronic structure packages was also explored, however, the lack of consistently increasing size for basis sets limits the application for finite size scaling purposes. We first apply the finite element element method (FEM) to solve for the short range Yukawa potential and obtained the critical parameters for the model potential. We develop the framework necessary to use FEM for finite size scaling. As mentioned before the 'size' of the system is the number of basis functions needed in the expansion of the wave function. However, using FEM the size of the system is the number of elements used. We then studied the Hulthen potential in comparison to the basis set results and also compare the results to the analytical solutions for the both methods. Finally we explore the use of FEM in combination with Hartree-Fock theory to solve 2 to 4 electron systems. The use of Hartree-Fock theory allows for the implementation of finite size scaling to larger systems. We used the FEM Hartree-Fock to calculate for the critical parameters of 2 to 4 electron systems. Although the results are not exact (as to be expected due to the use of Hartree-Fock theory) we get an estimate to the critical points of these systems. FEM can be combined with other electronic structure theories, which would allow for the study of larger systems exhibiting critical phenomena.
Properties of the phase change of the two-level pairing model are investigated in the semi-classical treatment by using the variational approach with a mixed-mode coherent state. In the classical limit, ħ → 0, a sharp phase transition appears, and the two phases exist in the region where the force strength is larger than a certain critical value. However, it is shown that, in the semi-classical treatment, the above-mentioned behavior of the phase change disappears in both analytical and numerical treatments. This leads to a new understanding of the properties of the phase change in this model.