Related papers: Multipole strength function of deformed superfluid…
While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…
Recent progress in the applications of covariant density functional theory (CDFT) to the description of the spectroscopy of the heaviest nuclei is reviewed. The analysis of quasiparticle spectra in actinides and the heaviest A ~ 250 nuclei…
We extend multireference covariant density-functional theory (MR-CDFT) based on a relativistic point-coupling energy functional to describe the low-lying states of odd-mass nuclei. The nuclear wave function is constructed as a superposition…
This paper focuses on numerical approximation for fractional powers of elliptic operators on $2$-d manifolds. Firstly, parametric finite element method is employed to discretize the original problem. We then approximate fractional powers of…
We have calculated the strength distributions of the dipole response in spherical nuclei, ranging all over the periodic table. The calculations were performed within two microscopic models: the discretized quasiparticle random phase…
We adopt the Hartree-Fock (HF) method in the proton-neutron-$\Lambda$ (p-n-$\Lambda$) formalism and the nucleon-$\Lambda$ Tamm-Dancoff Approximation (N$\Lambda$ TDA) to study the energy spectra of medium-mass hypernuclei. The formalism is…
The Linearized Poisson--Boltzmann (LPB) equation is a popular and widely accepted model for accounting solvent effects in computational (bio-) chemistry. In the present article we derive the analytical forces of the…
We consider the $\Omega$-deformed $\mathcal{N}=2$ $SU(2)$ gauge theory in four dimensions with $N_{f}=4$ massive fundamental hypermultiplets. The low energy effective action depends on the deformation parameters $\varepsilon_{1},…
The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Improvements both on a numerical and computational basis can relief problems related to this bottleneck. This work presents an efficient…
We present a substantial extension of our constraint-based approach for development of orbital-free (OF) kinetic-energy (KE) density functionals intended for the calculation of quantum-mechanical forces in multi-scale molecular dynamics…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
We describe a finite-field approach to compute density response functions, which allows for efficient $G_0W_0$ and $G_0W_0\Gamma_0$ calculations beyond the random phase approximation. The method is easily applicable to density functional…
The $\gamma$-ray strength function ($\gamma$SF) is essential for understanding the electromagnetic response in atomic nuclei and modeling astrophysical neutron capture rates. We introduced a microscopic description of both electric dipole…
In this work, we present a computationally efficient methodology that utilizes a local real-space formulation of the projector augmented wave (PAW) method discretized with a finite-element (FE) basis to enable accurate and large-scale…
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 study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the…
Tucker decomposition is proposed to reduce the memory requirement of the far-fields in the fast multipole method (FMM)-accelerated surface integral equation simulators. It is particularly used to compress the far-fields of FMM groups, which…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
Adjustment of the behavior of the potential energy of nuclear deformation, defined as the sum of the energies of lowest-lying occupied single-particle levels in a deformed finite potential with a pairing correction, is considered by taking…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…