Related papers: Variation after full projection with triaxially de…
We have recently developed an efficient method of performing the full quantum number projection from the most general mean-field (HFB type) wave functions including the angular momentum, parity as well as the proton and neutron particle…
Combining several techniques, we propose an efficient and numerically reliable method to perform the quantum number projection and configuration mixing for most general mean-field states, i.e., the Hartree-Fock-Bogoliubov (HFB) type product…
In solid-state physics, energies of crystals are usually computed with a plane-wave discretization of Kohn-Sham equations. However the presence of Coulomb singularities requires the use of large plane-wave cut-offs to produce accurate…
In addition to shape oscillations, low-energy excitation spectra of deformed nuclei are also influenced by pairing vibrations. The simultaneous description of these collective modes and their coupling has been a long-standing problem in…
The inner fission barriers of the even-even uranium isotopes from the proton to the neutron drip line are studied with the deformed relativistic Hartree-Bogoliubov theory in continuum. A periodic evolution for the ground state shapes is…
We study the performance of self-consistent mean-field and beyond-mean-field approximations in shell-model valence spaces. In particular, Hartree-Fock-Bogolyubov, particle-number variation after projection and projected generator coordinate…
Atomic nuclei exhibit deformation, pairing correlations, and rotational symmetries. To meet these competing demands in a computationally tractable formalism, we revisit the use of general pair condensates with good particle number as a…
We present a review of recent applications of the relativistic mean-field theory to the structure of nuclei close to the drip-lines. For systems with extreme isospin values, the relativistic Hartree-Bogoliubov model provides a unified and…
We expand the triaxial projected shell model basis to include triaxially-deformed multi-quasiparticle states. This allows us to study the yrast and gamma-vibrational bands up to high spins for both gamma-soft and well-deformed nuclei. As…
The knowledge of the local electronic structure of heterogeneous solid materials is crucial for understanding their electronic, magnetic, transport, optical, and other properties. VASP, one of the mostly used packages for density-functional…
Nucleon spin structure has been an active and exciting subject of interest for the last three decades. Recent precision spin-structure data from Jefferson Lab have significantly advanced our knowledge of nucleon structure in the valence…
We propose two different schemes for second-order perturbation theory with spin-projected Hartree-Fock. Both schemes employ the same ansatz for the first-order wave function, which is a linear combination of spin-projected configurations.…
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately…
Reliable predictions of the static and dynamic properties of a nucleus require a fully microscopic description of both ground and excited states of this complicated many-body quantum system. Predictive calculations are key to understanding…
We perform particle-number projected mean-field study using the recently developed symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations. Realistic calculations have been performed in sd- and fp-shell nuclei using the shell model…
We report the first calculations of nuclear properties near the drip-lines using the spherical Hartree-Fock-Bogoliubov mean-field theory with a finite-range force supplemented by continuum and particle number projection effects.…
Approximate inference is central to Bayesian learning, with variational inference (VI) providing a scalable framework for posterior approximation. While mean-field VI often fails in high dimensions, the more refined Bethe approximation,…
A systematic numerical investigation of a recently developed nuclear structure approach is presented which diagonalizes the Hamiltonian in the space of the symmetry-projected Hartree-Fock-Bogoliubov (HFB) vacuum and symmetry-projected…
We present a symmetry projection technique for enforcing rotational and parity symmetries in nuclear-electronic Hartree-Fock wave functions, which treat electrons and nuclei on equal footing. The molecular Hamiltonian obeys rotational and…
In a calculation of rotated matrix elements with angular momentum projection, the generalized Wick's theorem may encounter a practical problem of combinatorial complexity when the configurations have more than four quasi-particles (qps).…