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arXiv:0808.1874 · Physical Review A

Hartree-Fock-Bogoliubov theory of polarized Fermi systems

G. F. Bertsch, J. Dobaczewski, Witold Nazarewicz, Junchen Pei

Published Apr 2, 2009• 39 citations
arXivHTMLPDF

Abstract

Condensed Fermi systems with an odd number of particles can be described by means of polarizing external fields having a time-odd character. We illustrate how this works for Fermi gases and atomic nuclei treated by density-functional theory or Hartree-Fock-Bogoliubov theory. We discuss the method based on introducing two chemical potentials for different superfluid components, whereby one may change the particle-number parity of the underlying quasiparticle vacuum. Formally, this method is a variant of noncollective cranking, and the procedure is equivalent to the so-called blocking. We present and exemplify relations between the two-chemical-potential method and the cranking approximation for Fermi gases and nuclei.

DOI
10.1103/physreva.79.043602

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Condensed Fermi systems with an odd number of particles can be described by means of polarizing external fields having a time-odd character. We illustrate how this works for Fermi gases and atomic nuclei treated by density-functional theory or Hartree-Fock-Bogoliubov theory. We discuss the method based on introducing two chemical potentials for different superfluid components, whereby one may change the particle-number parity of the underlying quasiparticle vacuum. Formally, this method is a variant of noncollective cranking, and the procedure is equivalent to the so-called blocking. We present and exemplify relations between the two-chemical-potential method and the cranking approximation for Fermi gases and nuclei.
Using the $\ensuremath{\hbar}$ expansion of the Green's function of the Hartree-Fock-Bogoliubov equation, we extend the second-order Thomas-Fermi approximation to generalized superfluid Fermi systems by including the density-dependent effective mass and the spin-orbit potential. We first implement and examine the full correction terms over different energy intervals of the quasiparticle spectra in calculations of finite nuclei. Final applications of this generalized Thomas-Fermi method are intended for various inhomogeneous superfluid Fermi systems.
For several decades it has been known that divergences arise in the ground-state energy and chemical potential of unitary superfluids, where the scattering length diverges, due to particle-hole scattering. Leading textbooks and research articles recognize that there are serious issues but ignore them due to the lack of an approach that can regularize these divergences. We find a solution to this difficulty by proposing a general method, called the weighted Hartree-Fock-Bogoliubov theory, to handle multiple decomposition channels originating from the same interaction. We distribute the interaction in weighted channels determined by minimization of the action, and we apply this idea to unpolarized Fermi superfluids. Using our method, we solve a long-standing difficulty in the partitioning of the interaction into Hartree, Fock, and Bogoliubov channels for Fermi superfluids, and we obtain a phase diagram at the saddle-point level, which contains multichannel nonperturbative corrections. In particular, we find a previously overlooked superfluid phase for weak interactions, which is dominated by particle-hole processes, in addition to the usual superfluid phase only containing particle-particle physics.
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.
The Hartree-Fock-Bogoliubov approximation is very useful for treating both long- and short-range correlations in finite quantum fermion systems, but it must be extended in order to describe detailed spectroscopic properties. One problem is the symmetry-breaking character of the HFB approximation. We present a general and systematic way to restore symmetries and to extend the configuration space using pfaffian formulas for the many-body matrix elements. The advantage of those formulas is that the sign of the matrix elements is unambiguously determined. It is also helpful to extend the space of configurations by constraining the HFB solutions in some way. A powerful method for finding these constrained solutions is the gradient method, based on the generalized Thouless transformation. The gradient method also preserves the number parity of the Bogoliubov transformation, which facilitates the application of the theory to systems with odd particle number.
We apply the Hartree-Fock-Bogoliubov theory to a system of uniform dipolar fermionic polar molecules, which recently has attracted much attention due to rapid experimental progress in achieving such systems. By calculating the anisotropic superfluid-order parameter and the critical temperature Tc{T}_{c}Tc​, we show that high-Tc{T}_{c}Tc​ superfluid can be achieved with a quite modest value of interaction strength for polar molecules. In addition, we also show that the presence of the Fock-exchange interaction enhances superfluid pairing.
It is usually asserted that physical Hamiltonians for fermions must contain an even number of fermion operators. This is indeed true in electronic structure theory. However, when the Jordan-Wigner (JW) transformation is used to map physical spin Hamiltonians to Hamiltonians of spinless fermions, terms that contain an odd number of fermion operators may appear. The resulting fermionic Hamiltonian thus does not have number parity symmetry and requires wave functions that do not have this symmetry either. In this work, we discuss the extension of standard Hartree-Fock-Bogoliubov (HFB) theory to the number-parity-nonconserving case. These ideas had appeared in the literature before but, perhaps for lack of practical applications, had, to the best of our knowledge, never been employed. We here present a useful application for this more general HFB theory based on coherent states of the SO(2M + 1) Lie group, where M is the number of orbitals. We also show how using these unusual mean-field states can provide significant improvements when studying the JW transformation of chemically relevant spin Hamiltonians.