Related papers: HFB3: an axial HFB solver with Gogny forces using …
A numerical method to solve the TDHFB equations by using a hybrid basis of the two-dimensional harmonic oscillator eigenfunctions and one-dimensional Lagrange mesh with the Gogny effective interaction is applied to the head-on collisions of…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Background: The relativistic Hartree-Fock-Bogoliubov (RHFB) theory has recently been developed and it provides a unified and highly predictive description of both nuclear mean field and pairing correlations. Ground state properties of…
The variational principle is used to build a model which describes open shell nuclei with ground state deformations. Hartree-Fock equations are solved by using single particle wave functions whose radial parts depend on the projection of…
The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…
Ground-state properties of neutron-rich $N \approx 28$ nuclei are described in the framework of Relativistic Hartree Bogoliubov (RHB) theory. The model uses the NL3 effective interaction in the mean-field Lagrangian, and describes pairing…
The modified HFB (MHFB) theory at finite temperature is derived, which conserves the unitarity relation of the particle-density matrix. This is achieved by constructing a modified quasiparticle-density matrix, where the fluctuation of the…
For axially symmetric even-even nuclei, we solve the Hartree-Fock-Bogoliubov (HFB) equations on a 2-D grid in cylindrical coordinates. The Skyrme SLy4 interaction is used for the mean field and a zero-range interaction for the pairing…
Ground-state properties of A = 20 nuclei ($^{20}$N, $^{20}$O, $^{20}$F, $^{20}$Ne, $^{20}$Na, $^{20}$Mg) are described in the framework of Relativistic Hartree-Bogoliubov (RHB) theory. The model uses the NL3 effective interaction in the…
We have developed an application for studying heavy ion fusion barrier characteristics such as such as fusion barrier heights ($V_B$), positions ($R_B$) and curvature of the inverted parabola ($\hbar\omega$). We call this application as…
The coordinate-space Hartree-Fock-Bogoliubov (HFB) approach with quasiparticle blocking has been applied to study the odd-A weakly bound nuclei $^{17,19}$B and $^{37}$Mg, in which halo structures have been reported in experiments. The…
We formulate a new scheme of the Hartree-Fock-Bogoliubov mean-field theory applicable to weakly bound and pair correlated deformed nuclei using the coordinate-space Green's function technique. On the basis of a coupled-channel…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
HfS is a tool to fit the hyperfine structure of spectral lines, with multiple velocity components. The HfS_nh3 procedures included in HfS fit simultaneously the hyperfine structure of the NH$_3$ (J,K)= (1,1) and (2,2) transitions, and…
We present an efficient implementation of periodic Gaussian density fitting (GDF) using the Coulomb metric. The three-center integrals are divided into two parts by range-separating the Coulomb kernel, with the short-range part evaluated in…
A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is present, and often these scale very unfavourably with system…
Starting from HFB-6, we have constructed a new mass table, referred to as HFB-8, including all the 9200 nuclei lying between the two drip lines over the range of Z and N > 6 and Z < 122. It differs from HFB-6 in that the wave function is…
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 density-dependent finite-range Gogny force has been used to derive the effective Hamiltonian for the shell-model calculations of nuclei. The density dependence simulates an equivalent three-body force, while the finite range gives a…
We study the behavior of Hartree-Fock (HF) solutions in the vicinity of conical intersections. These are here understood as regions of a molecular potential energy surface characterized by degenerate or nearly-degenerate eigenfunctions with…