Symmetry-projected variational calculations with the numerical suite TAURUS
I. Variation after particle-number projection
Departamento de Física Teórica, Universidad Autónoma de Madrid, 28049, Madrid, Spain
2 Centro de Investigación Avanzada en Física Fundamental-CIAFF-UAM, 28049, Madrid, Spain
Accepted: 24 January 2021
Published online: 23 February 2021
We present the numerical code that solves the variation after particle-number projection equations for real general Bogoliubov quasiparticle states represented in a spherical harmonic oscillator basis. The model space considered is invariant under spatial and isospin rotations but no specific set of orbits is assumed such that the code can carry out both valence-space and no-core calculations. In addition, no number parity is assumed for the Bogoliubov quasiparticle states such that the code can be used to describe even-even, odd-even and odd-odd nuclei. The variational procedure can be performed under several simultaneous constraints on the expectation values of a variety of operators such as the multipole deformations, the pairing field or the components of the angular momentum. To demonstrate the potential and versatility of the code, we perform several example calculations using an empirical shell-model interaction as well as a chiral interaction. The ability to perform advanced variational Bogoliubov calculations offered by this code will, we hope, be beneficial to the shell model and ab initio communities.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021. corrected publication 2021