Related papers: An HFB scheme in natural orbitals
Several pairing schemes currently used to describe superfluid nuclei through Hartree-Fock-Bogolyubov (HFB) calculations are briefly reviewed. We put a particular emphasis on the regularization recipes used in connection with zero-range…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
The self-consistent Hartree-Fock-Bogoliubov problem in large boxes can be solved accurately in the coordinate space with the recently developed solvers HFB-AX (2D) and MADNESS-HFB (3D). This is essential for the description of superfluid…
We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have…
Numerical difficulties associated with computing matrix elements of operators between Hartree-Fock-Bogoliubov (HFB) wavefunctions have plagued the development of HFB-based many-body theories for decades. The problem arises from divisions by…
The HFB3 program solves the axial nuclear Hartree-Fock-Bogoliubov (HFB) equations using bases formed by either one or two sets of deformed Harmonic Oscillator (HO) solutions with D1-type and D2-type Gogny effective nucleon-nucleon…
The existing formalism used to compute the operator overlaps necessary to carry out generator coordinate method calculations using a set of Hartree- Fock- Bogoliubov wave functions, is generalized to the case where each of the HFB states…
We describe the first version (v1.00) of the code HFBRAD which solves the Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov equations in the coordinate representation within the spherical symmetry. A realistic representation of the…
A multi-configuration mixing approach built on essentially complex, symmetry-projected Hartree-Fock-Bogoliubov (HFB) mean fields is introduced. The mean fields are obtained by variation after projection. The configuration space consists out…
We present the first set of results of solving the Hartree-Fock-Bogoliubov equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on a two-dimensional…
The current work plans to study the accuracy due to FD approximation to the 3D nuclear HFB problem. By (1) taking the wave functions solved in harmonic oscillator (HO) basis, (2) representing the HFB problem in coordinate space using FD…
Ab initio calculations face the challenge of describing a complex multiscale quantum many-body system. The nuclear wave function has both strong short-range correlations and long-range contributions. Natural orbitals provide a means of…
Relativistic Hartree-Fock-Bogoliubov (RHFB) theory with density-dependent meson-nucleon couplings is presented. The integro-differential RHFB equations are solved by expanding the different components of the quasi-particle spinors in the…
Selfconsistent Hartree-Fock-Bogoliubov (HFB) calculations have been performed with the Gogny force for nuclei along several constant Z and constant N chains, with the purpose of extracting the macroscopic part of the binding energy using…
A numerical method to solve time-dependent Hartree-Fock-Bogoliubov equation is proposed to treat the case with Gogny effective interaction. To check the feasibility of the method, it is applied to oxygen isotope O20 and small amplitude…
The Hartree-Fock-Bogoliubov (HFB) equations in coordinate representation are solved exactly, i.e., with correct asymptotic boundary conditions for the continuous spectrum. The calculations are preformed with effective Skyrme interactions.…
We present a multigrid scheme for the solution of finite-element Hartree-Fock equations for diatomic molecules. It is shown to be fast and accurate, the time effort depending linearly on the number of variables. Results are given for the…
Using the Kadanoff-Baym non-equilibrium Green's function formalism, we derive the self-consistent Hartree-Fock-Bogoliubov (HFB) collisionless kinetic equations and the associated equation of motion for the condensate wavefunction for a…
We are reinvestigating the hyperfine structure of sodium using a fully relativistic multiconfiguration approach. In the fully relativistic approach, the computational strategy somewhat differs from the original nonrelativistic counterpart…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…