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arXiv:1411.5730 · Physical Review C

Extension of time-dependent Hartree-Fock-Bogoliubov equations

M. Tohyama, Peter Schuck

Published Mar 13, 2015• 5 citations
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Abstract

An extension of the time-dependent Hartree-Fock-Bogoliubov theory (ETDHFB) which includes higher-order effects such as screening of the pairing correlation is proposed. ETDHFB is applied to a pairing model and a fermion system trapped in a harmonic potential to test its feasibility by comparison with exact solutions. With the use of perturbative expressions for the pairing tensor and the two-body density matrix derived from ETDHFB, the screening effect is investigated for atomic fermion systems and isotopes of tin nuclei. It is found that the screening effect on the pairing correlation is not significant.

DOI
10.1103/physrevc.91.034316

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•Jan 1, 2011•0 citations
An extension of the time-dependent Hartree-Fock-Bogoliubov theory (ETDHFB) which includes higher-order effects such as screening of the pairing correlation is proposed. ETDHFB is applied to a pairing model and a fermion system trapped in a harmonic potential to test its feasibility by comparison with exact solutions. With the use of perturbative expressions for the pairing tensor and the two-body density matrix derived from ETDHFB, the screening effect is investigated for atomic fermion systems and isotopes of tin nuclei. It is found that the screening effect on the pairing correlation is not significant.
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.
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 extension of the 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 exactly conserved. The connection with the Hartree-Fock-Bogoliubov theory is discussed. The method of the quasilocal reduction of the nonlocal theory is described. This quasilocal reduction allows to obtain equations of motion which are much more simple for the numerical solution than the equations corresponding to the nonlocal case.
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.
We present simple equations for a canonical-basis (Cb) formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory. The equations are obtained from the TDHFB theory with an approximation that the pair potential is assumed to be diagonal in the Cb. The Cb formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even light nuclei and demonstrate its capability and accuracy by comparing our results with recent calculations of the quasiparticle random-phase approximation with Skyrme functionals. We show systematic studies of E1E1E1 strength distributions for Ne and Mg isotopes. The evolution of the low-lying pygmy strength seems to be determined by the interplay of several factors, which include the neutron excess, the separation energy, the neutron-shell effects, the deformation, and the pairing.
We have developed a new theory to study excited states and dynamics of atomic nuclei, which we call the Canonical-basis time-dependent Hartree-Fock-Bogoliubov (Cb-TDHFB). The CbTDHFB is a simplified theory of the full TDHFB theory, treating pairing energy functional with a BCS-like approximation which is assumed to be diagonal in the canonical basis. Implementing the theory with a real-space and real-time method, we can describe nuclear excitations and dynamics taking account of deformation effects and pairing correlations, even for heavy nuclei with a reasonable computational costs. In this thesis, we first present a derivation of the CbTDHFB theory and we apply the method to linear-response calculations for even-even light to heavy nuclei and demonstrate its capability and accuracy by comparing our results with recent calculations of the quasi-particle random-phase approximation (QRPA) which is equivalent to the small amplitude limit of TDHFB, with Skyrme functionals. We derived the Cb-TDHFB equations starting with the full TDHFB equations, introducing a simplified form for the pairing energy functional. In the derivation, we start with the ordinary TDHFB equation written in terms of the time-dependent generalized density matrix R(t) which is composed of the time-dependent normal density matrix ρ(t) and the pairing tensor κ(t). We then rewrite the equation in the canonical basis, which diagonalize ρ(t). The derived TDHFB equations in the canonical basis has a very simple form. However, they are not useful practically for a general case since it costs much to obtain the canonical basis themselves at each time. Solving the time-dependent equation for the canonical basis is as difficult as solving the full TDHFB equation. This difficulty disappears if we employ a simplified pairing energy density functional, which is equivalent to that employed in the BCS approximation for ground state calculations. For linear response calculations, we present results of the Cb-TDHFB calculations for excited states of some spherical and deformed nuclei to show performance of the method. We show strength functions of isovector dipole and isoscalar quadrupole excitations for some spherical and deformed nuclei. First, we show the comparison results of Cb-TDHFB with the QRPA in order to confirm the justification of canonical-basis formulation and the reduction of computational cost with this new framework. We show isoscalar quadrupole strength functions of neutron-rich nucleus 34Mg for confirmation of our new method, and also discuss full self-consistent calculations of 24Mg as an example of light nucleus and 208Pb and 154Sm as an example of heavy nuclei, in order to be clear, especially, the effects of spin-orbit and Coulomb residual interaction. Next, in order to show typical strength functions for spherical and deformed nuclei, we discuss isovector dipole and isoscalar quadrupole mode for 34Si as an example of spherical nucleus, for 34Mg as an example of prolate deformed nucleus and for 24Ne as an example of oblate deformed nucleus. For a confirmation of computational cost of the calculation using Cb-TDHFB, we isovector dipole strength functions of deformed heavy nuclei 172Yb and 236−240U. We show then the comparison our results with experimental data for photo-nuclear reaction cross sections. And we also show systematic calculations low-energy E1 strength which is often called Pygmy dipole resonance and which is well-known as a important strength to understand nucleosynthesis. In this thesis, we discuss the appearance of low-energy E1 strength functions of C, O, Ne, Mg, Si, S, Ar and Ca isotopes which are relatively light nuclei.