Solving the three-dimensional Skyrme Hartree-Fock-Bogoliubov problem using the mixed-basis method

Abstract: Background: The symmetry-unrestricted Hartree-Fock-Bogoliubov (HFB) simulation is important for describing various quantum many-body systems. However, the HFB problem in Cartesian coordinate space is numerically challenging. Purpose: For describing ground states without imposing axial symmetry and looking ahead to future extension for dynamics with full time dependence, we present a numerically efficient implementation of the three-dimensional (3D) HFB code. Methods: We develop a 3D Skyrme HFB code based on the mixed-basis representation (HFBmix) which consists of two harmonic-oscillator (HO) bases in the x- and y-directions, and finite-difference (FD) basis in the z-direction in solving the nuclear 3D HFB problem. Results: The results show very well agreement among all the three codes (HFBmix, HO3D, and hfodd). Especially for the HF calculations, the differences in total energies are on the order of a few keV for the lightest O and Mg nuclei. The HFBmix is applied to spherical, prolate, and triaxial systems, and gives the same quadrupole moments for the deformed nuclei as those of the HO-based calculations. Feasibility of the HFBmix is demonstrated in the fission isomer and barrier calculations of 240Pu. Conclusions: The HFBmix is useful for solving the nuclear 3D HFB problem for its numerical efficiency. Future work will include the analysis of deformed drip-line systems and systematic potential-energy surface calculation for fission-path analysis as well as the time-dependent extension of the HFBmix code for dynamics calculations.