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arXiv:1603.00642 · Physical Review C

Structure of the number-projected BCS wave function

J. Dukelsky, Stuart Pittel, Carlos Esebbag

Published Mar 10, 2016• 18 citations
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Abstract

We study the structure of the number-projected BCS (PBCS) wave function in the particle-hole basis, displaying its similarities with coupled clusters theory (CCT). The analysis of PBCS together with several modifications suggested by the CCT wave function is carried out for the exactly solvable Richardson model involving a pure pairing Hamiltonian acting in a space of equally spaced, doubly degenerate levels. We point out the limitations of PBCS to describe the nonsuperconducting regime and suggest possible avenues for improvement.

DOI
10.1103/physrevc.93.034313

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We study the structure of the number-projected BCS (PBCS) wave function in the particle-hole basis, displaying its similarities with coupled clusters theory (CCT). The analysis of PBCS together with several modifications suggested by the CCT wave function is carried out for the exactly solvable Richardson model involving a pure pairing Hamiltonian acting in a space of equally spaced, doubly degenerate levels. We point out the limitations of PBCS to describe the nonsuperconducting regime and suggest possible avenues for improvement.
The ground-state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of this symmetry-preserving wave function enables a unified picture valid from weak to strong coupling, both in small and large systems. The present variational approach consistently yields an energy upper bound while operating at the same level of precision as the nonvariational particle-number-projected Bogoliubov-coupled-cluster theory [Phys. Rev. C 99, 044301 (2019)].
The mean values of a many-body Hamiltonian including a proton-neutron pairing term and matrix elements of one-, two-, and four-body operators within a basis of particle-number-projected BCS states are analytically expressed in terms of a single function Q(N)Q(N)Q(N) depending on the number of particles, NNN. The function Q(N)Q(N)Q(N) is calculated using a recursion in NNN in which the shells and the BCS angles are kept the same for any iteration step. An illustrative example is numerically considered in a restricted single-particle space. Some specific features of the standard BCS, the projection after variation approach, and the variation after projection formalism are pointed out.
We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed BCS-based p-CCD method yields energies significantly better than those of existing methods when compared to the exact results obtained via solution of the Richardson equations. The quasiparticle p-CCD method has a low computational cost of O(N3)\mathcal{O}({N}^{3})O(N3) as a function of system size. This together with the high quality of results here demonstrated points to considerable promise for the accurate description of strongly correlated systems with more realistic pairing interactions.
The mean values of a many-body Hamiltonian including a proton-neutron pairing term and matrix elements of one-, two- and four-body operators within a basis of particle number projected BCS states, are analytically expressed in terms of a single function Q(N) depending on the number of particles, NNN. The function Q(N) is calculated using a recursion in NNN in which the shells and the BCS angles are kept the same for any step of iteration. An illustrative example is numerically considered in a restricted single particle space. Some specific features for the standard BCS, the projection after variation approach as well as for the variation after projection formalism, are pointed out.