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arXiv:1202.2681 · Physical Review C

Pairing dynamics in particle transport

Guillaume Scamps, Denis Lacroix A, G. F. Bertsch, Kouhei Washiyama

Published Mar 23, 2012• 55 citations
arXivHTMLPDF

Abstract

We analyze the effect of pairing on particle transport in time-dependent theories based on the Hartree-Fock-Bogoliubov (HFB) or BCS approximations. The equations of motion for the HFB density matrices are unique and the theory respects the usual conservation laws defined by commutators of the conserved quantity with the Hamiltonian. In contrast, the theories based on the BCS approximation are more problematic. In the usual formulation of time-dependent Hartree-Fock $(\mathrm{TDHF})+\mathrm{BCS}$, the equation of continuity is violated and one sees unphysical oscillations in particle densities. This can be ameliorated by freezing the occupation numbers during the evolution in $\mathrm{TDHF}+\mathrm{BCS}$, but there are other problems with the BCS approximation that make it doubtful for reaction dynamics. We also compare different numerical implementations of the time-dependent HFB equations. The equations of motion for the $U$ and $V$ Bogoliubov transformations are not unique, but it appears that the usual formulation is also the most efficient. Finally, we compare the time-dependent HFB solutions with numerically exact solutions of the two-particle Schr\"odinger equation. Depending on the treatment of the initial state, the HFB dynamics produces a particle emission rate at short times similar to that of the Schr\"odinger equation. At long times, the total particle emission can be quite different, due to inherent mean-field approximation of the HFB theory.

DOI
10.1103/physrevc.85.034328

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We analyze the effect of pairing on particle transport in time-dependent theories based on the Hartree-Fock-Bogoliubov (HFB) or BCS approximations. The equations of motion for the HFB density matrices are unique and the theory respects the usual conservation laws defined by commutators of the conserved quantity with the Hamiltonian. In contrast, the theories based on the BCS approximation are more problematic. In the usual formulation of time-dependent Hartree-Fock (TDHF)+BCS(\mathrm{TDHF})+\mathrm{BCS}(TDHF)+BCS, the equation of continuity is violated and one sees unphysical oscillations in particle densities. This can be ameliorated by freezing the occupation numbers during the evolution in TDHF+BCS\mathrm{TDHF}+\mathrm{BCS}TDHF+BCS, but there are other problems with the BCS approximation that make it doubtful for reaction dynamics. We also compare different numerical implementations of the time-dependent HFB equations. The equations of motion for the UUU and VVV Bogoliubov transformations are not unique, but it appears that the usual formulation is also the most efficient. Finally, we compare the time-dependent HFB solutions with numerically exact solutions of the two-particle Schr"odinger equation. Depending on the treatment of the initial state, the HFB dynamics produces a particle emission rate at short times similar to that of the Schr"odinger equation. At long times, the total particle emission can be quite different, due to inherent mean-field approximation of the HFB theory.
The extension of density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the application of existing DFT plus pairing approaches to atoms, molecules, ultracooled and magnetically trapped atomic Fermi gases, and atomic nuclei where the number of particles is conserved exactly. The connection with Hartree-Fock-Bogoliubov (HFB) theory is discussed, and the method of quasilocal reduction of the nonlocal theory is also described. This quasilocal reduction allows equations of motion to be obtained which are much simpler for numerical solution than the equations corresponding to the nonlocal case. Our theory is applied to the study of some even Sn isotopes, and the results are compared with those obtained in the standard HFB theory and with the experimental ones.
Abstract We introduce the map of dynamics of quantum Bose gases into dynamics of quasifree states, which we call the “nonlinear quasifree approximation”. We use this map to derive the time-dependent Hartree–Fock–Bogoliubov (HFB) equations describing the dynamics of quantum fluctuations around a Bose–Einstein condensate. We prove global well-posedness of the HFB equations for pair potentials satisfying suitable regularity conditions, and we establish important conservation laws. We show that the space of solutions of the HFB equations has a symplectic structure reminiscent of a Hamiltonian system. This is then used to relate the HFB equations to the HFB eigenvalue equations discussed in the physics literature. We also construct Gibbs equilibrium states at positive temperature associated with the HFB equations, and we establish criteria for the appearance of Bose–Einstein condensation.
Pairing properties of a trapped fermion gas consisting of atoms with magnetic dipole moment are studied using the Hartree–Fock–Bogoliubov theory (HFB) and the results are compared with those obtained from the exact diagonalization approach (EDA). It is shown that HFB underestimates two-body correlations and gives quite different atom–atom correlations than the results in EDA. Extended time-dependent HFB (ETDHFB), which is derived from the truncation of equations of motion for reduced density matrices, is also applied and it is found that the difficulties of HFB can be remedied by ETDHFB.
The thesis provides rigorous quantitative analyses for studying quantum fluctuations of a non-relativistic Bose gas about a Bose-Einstein condensate. In recent years, the dynamics of the condensate and the excitations of a Bose gas was shown to be well approximated by the quasifree dynamics with governing equations given by a system of coupled nonlinear dispersive PDEs called the time-dependent Hartree-Fock-Bogoliubov (HFB) system (c.f. Grillakis and Machedon, J. Fix. Point Theory A., (2013), Grillakis and Machedon, Comm. PDEs, (2017), Bach et al. in arXiv:1602.05171v2, (2018), Benedikter et al., Ann. Henri Poincare, (2018)). However, both the quantitative and qualitative analysis of the time-dependent HFB system are still in their early stages of development. Thus, the primary purposes of the thesis are to further the development of some analytic tools necessary for studying the time-dependent HFB system and use these effective equations to provide quantitative estimates for the true dynamics of the Bose gas at absolute zero temperature in Fock space norm. The thesis comprises the entirety of the author's current and past projects on the time-dependent HFB system. Each project falls into one or more of two categories: studying the local or global well-posedness of the time-dependent HFB system, or obtaining global-in-time Fock space estimates for the error terms of the quasifree approximation to the dynamics of a system of interacting bosons. In the former category, the author employs techniques of dispersive PDE theory developed in the past three decades along with classical methods of harmonic analysis to study lower regularity solutions to the time-dependent HFB system. The lower regularity well-posedness of solutions for the time-dependent HFB system is necessary for studying norm approximation of the dynamics of a dilute Bose gas with strong interactions. In the latter category, we prove global a-priori estimates for the solutions to the HFB system and use them to obtain estimates for the error terms of the Fock space approximation.
To describe quantal collective phenomena, it is useful to requantize the time-dependent mean-field dynamics. We study the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory for the two-level pairing Hamiltonian, and compare results of different quantization methods. The one constructing microscopic wave functions, using the TDHFB trajectories fulfilling the Einstein-Brillouin-Keller quantization condition, turns out to be the most accurate. The method is based on the stationary-phase approximation to the path integral. We also examine the performance of the collective model which assumes that the pairing gap parameter is the collective coordinate. The applicability of the collective model is limited for the nuclear pairing with a small number of single-particle levels, because the pairing gap parameter represents only a half of the pairing collective space.