Related papers: HFB calculations with a microscopic pairing intera…
We study the convergence properties of nuclear binding energies and two-neutron separation energies obtained with self-consistent mean-field calculations based on the Hartree-Fock-Bogolyubov (HFB) method with Gogny-type effective…
(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, however there is no single (universal) value for alpha which…
Recent progresses in the description of the latter stage of nuclear fission are reported. Dynamical effects during the descent of the potential towards scission and in the formation of the fission fragments are studied with the…
Evolutionary algorithms for molecular design require computationally efficient yet accurate fitness functions. We systematically benchmark Hartree-Fock and density functional theory for predicting molecular first hyperpolarizability…
We introduce a microscopic approach for calculating the excitation energies of systems formed during heavy-ion collisions. The method is based on time-dependent Hartree-Fock (TDHF) theory and allows the study of the excitation energy as a…
We report on Hartree-Fock-Bogoliubov (HFB) calculations of the ground-state rotationnal band of the heavy nucleus $^{254}$No recently observed experimentally. The calculated quadrupole deformation is consistent with the experimental value…
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard Density Functional Theory approaches. However, DFTB models…
A theoretical study of interacting bosons in a periodic optical lattice is presented. Instead of the commonly used tight-binding approach (applicable near the Mott insulating regime of the phase diagram), the present work starts from the…
The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…
A self-consistent Quasiparticle-Random-Phase-Approximation (QRPA) model which employs the canonical Hartree-Fock-Bogoliubov (HFB) basis and an energy-density functional with a Skyrme mean field part and a density-dependent pairing, is used…
By introducing a density-dependent contact term, M3Y-type interactions applicable to the Hartree-Fock calculations are developed. In order to view basic characters of the interactions, we carry out calculations on the uniform nuclear matter…
In this work, we have studied ground-state properties of both even-even and odd Nd isotopes within Hartree-Fock-Bogoliubov method with SLy5 Skyrme force in which the pairing strength has been generalized with a new proposed formula. We…
We calculate the ground-state properties of well deformed, even-even N=Z nuclei in the region between Ni-56 and Sn-100 within two different approaches, focusing on the binding energy and deformation and pairing properties. First, we employ…
We derive and discuss the equations of motion for the condensate and its fluctuations for a dilute, weakly interacting Bose gas in an external potential within the self--consistent Hartree--Fock--Bogoliubov (HFB) approximation. Account is…
Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…
The description of fission remains a challenge for nuclear microscopic theories. The time-dependent Hartree-Fock approach with BCS pairing is applied to study the last stage of the fission process. A good agreement is found for the one-body…
Multi-strange Ca, Sn and Pb hypernuclei with $\Lambda\Lambda$ pairing interaction are investigated within the Hartree-Fock-Bogoliubov approach. The unknown $\Lambda\Lambda$ pairing strength is calibrated to match with the maximal value for…
A contact potential describing an effective interaction between atomic $^4$He reproducing the results obtained with the HFDHE2 potential by Aziz et al. is employed to study the resulting equation of state by means of Quantum Monte Carlo…
A many-body wave function is approximated by a product of two functions: the wave function $\phi$ depending on the particle coordinates and the function $\chi$ depending only on the value of interparticle interaction potential. For the…
We construct a fully self-consistent Hartree-Fock-Bogoliubov theory that describes a spinless Fermi gas with long-range interaction. We apply this theory to a system of uniform dipolar fermionic polar molecules, which has attracted much…