Ab initio self-consistent Gorkov-Green's function calculations of semi-magic nuclei: Numerical implementation at second order with a two-nucleon interaction

Background: The newly developed self-consistent Gorkov-Green's function approach represents a promising path to the ab initio description of mid-mass open-shell nuclei. The formalism based on a two-nucleon interaction and the second-order truncation of Gorkov's self-energy has been described in detail in Ref. [Somà, Duguet, and Barbieri, Phys. Rev. C 84, 064317 (2011)PRVCAN0556-281310.1103/PhysRevC.84.064317]. Purpose: The objective is to discuss the methodology used to solve Gorkov's equation numerically and to gauge its performance in view of carrying out systematic calculations of medium-mass nuclei in the future. In doing so, different sources of theoretical error and degrees of self-consistency are investigated. Methods: We employ Krylov projection techniques with a multi-pivot Lanczos algorithm to efficiently handle the growth of poles in the one-body Green's function that arises as a result of solving Gorkov's equation self-consistently. We first characterize the numerical scaling of Gorkov's calculations based on full self-consistency and on a partially self-consistent scheme coined as "sc0". Using small model spaces, the Krylov projection technique is then benchmarked against exact diagonalization of the original Gorkov matrix. Next, the convergence of the results as a function of the number Nℓ of Lanczos iterations per pivot is investigated in large model spaces. Eventually, the convergence of the calculations with the size of the harmonic oscillator model space is examined. Results: Gorkov self-consistent Green's function (SCGF) calculations performed on the basis of Krylov projection techniques display a favorable numerical scaling that authorizes systematic calculations of mid-mass nuclei. The Krylov projection selects efficiently the appropriate degrees of freedom while spanning a very small fraction of the original space. For typical large-scale calculations of mid-mass nuclei, a Krylov projection making use of Nℓ≈50 yields a sufficient degree of accuracy on the observables of interest. The partially self-consistent sc0 scheme is shown to reproduce fully self-consistent solutions in small model spaces at the 1% level. Eventually, Gorkov-Green's function calculations performed on the basis of SRG-evolved interactions show a fast convergence as a function of the model-space size. Conclusions: The end result is a tractable, accurate and gently scaling ab initio scheme applicable to complete isotopic and isotonic chains in the medium-mass region. The partially self-consistent sc0 scheme provides an excellent compromise between accuracy and computational feasibility and will be the workhorse of systematic Gorkov-Green's function calculations in the future. The numerical scaling and performances of the algorithm employed offers the possibility (i) to apply the method to even heavier systems than those (e.g., 74Ni) already studied so far and (ii) to perform converged Gorkov SCGF calculations based on harder, e.g. original chiral interactions.