Related papers: BiFold: A Python code for the calculation of doubl…
Nuclear fusion reactions at sub-barrier energies play crucial roles in many aspects of primordial nucleosynthesis in stellar objects. One of the primary aspects that plays a pivotal role in understanding the relationship between stellar…
In spite of numerous scientific and practical applications, there is still no comprehensive theoretical description of the nuclear fission process based solely on protons, neutrons and their interactions. The most advanced simulations of…
From the subsubleading chiral three-nucleon force [intermediate-range contributions, published in Phys. Rev. C\,87, 054007 (2013)] a density-dependent NN-interaction $V_\text{med}$ is derived in isospin-symmetric nuclear matter. Following…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
A high-performance Fortran code is developed to calculate the spin- and parity-dependent shell model nuclear level densities.The algorithm is based on the extension of methods of statistical spectroscopy and implies exact calculation of the…
The nuclear symmetry energy $E_{sym}(\rho)$ and its density slope $L(\rho)$ can be decomposed analytically in terms of the single-nucleon potential in isospin asymmetric nuclear matter. Using three popular nuclear effective interaction…
A new algorithm for calculating the spin- and parity-dependent shell model nuclear level densities using the moments method in the proton-neutron formalism is presented. A new, parallelized code based on this algorithm was developed and…
In the present work we are going to add a correction to the BHF potential calculation by introducing a two- body density dependent potential that acts as a three body interaction. Adding the result of this potential to the BHF potential…
Nuclear density functional theory provides a unified description of finite nuclei and bulk nuclear matter, and is widely used to model the neutron star equation of state. However, extrapolations to supra-saturation densities require a…
Background: The density dependence of nuclear symmetry energy is crucial in determining several properties of finite nuclei to the neutron stars with mass $\sim$ 1.4 $M_\odot$. The values of neutron skin thickness, isovector giant dipole…
Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…
We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to…
A microscopic description of nuclear fission represents one of the most challenging problems in nuclear theory. While phenomenological coordinates, such as multipole moments, have often been employed to describe fission, it is not obvious…
We describe extensions to the siesta density functional theory (dft) code [30], for the simulation of isolated molecules and their absorption spectra. The extensions allow for: - Use of a multi-grid solver for the Poisson equation on a…
Double--folded optical $\alpha$--nucleus potentials can be used to calculate elastic scattering cross sections in a wide mass-- and energy region. Because of the systematic behavior of the potential parameters we are able to obtain reliable…
The calculations of the alpha decay half-lives of some Polonium isotopes in the mass range 186 - 218 have been carried out using the Wentzel-Kramers-Brillouin (WKB) semiclassical approximation. The alpha-nucleus effective potential used…
The last decade has witnessed a swiftly increasing interest in the design and production of novel multivalent molecules as powerful alternatives for conventional antibodies in the fight against cancer and infectious diseases. However, while…
Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…
Following a previous paper [Y. Shi, Phys. Rev. C 98, 014329(2018)], we present an extension of the density-functional theory to allow for dynamic calculations based on the obtained static Hartree-Fock results. We perform extensive benchmark…
In-medium effects are introduced in the microscopic description of the effective nucleon-nucleon (NN) interaction potential entitled DDR3Y in terms of the density-dependent nucleon-meson couplings within the Relativistic-Hartree-Bogoliubov…