Related papers: Structure properties of even-even actinides
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
We have considered a numerical scheme for the calculation of the equilibrium properties of spin-1/2 XY chains. Within its frames it is necessary to solve in the last resort only the 2N\times 2N eigenvalue and eigenvector problem but not the…
We use density functional theory (DFT) to investigate the geometric and electronic structures of multiple 5CB molecules. There are three parts for this research, test of the arrangement property of the 5CB molecule, calculation of two…
Numerous exact relations exist that relate the effective elastic properties of composites to the elastic properties of their components. These relations can not only be used to determine the properties of certain composites, but also…
Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can be used to tune material properties for a specific…
A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions.…
In this work we study the effect of the nuclear tensor force on properties related with deformation. We focus on isotopes in the Mg, Si, S, Ar, Sr and Zr chains within the Hartree-Fock-Bogoliubov theory using the D1ST2a Gogny interaction.…
We propose a modified version of the Ginzburg-Landau energy functional admitting static solitons and determine all the Painlev\'e-integrable cases of its Bogomolny equations of a given class of models. Explicit solutions are determined in…
The semimetallic Group V elements display a wealth of correlated electron phenomena due to a small indirect band overlap that leads to relatively small, but equal, numbers of holes and electrons at the Fermi energy with high mobility. Their…
In the context of nuclear fuel recycling and environmental issues, the understanding of the properties of radio-elements with various approaches remains a challenge regarding their dangerousness. Moreover, experimentally, it is imperative…
The structure of low-lying excitation states of even-even $N=40$ isotones is studied using a five-dimensional collective Hamiltonian with the collective parameters determined from the relativistic mean-field plus BCS method with the PC-PK1…
Fission properties of the actinide nuclei are deduced from theoretical analysis. We investigate potential energy surfaces and fission barriers and predict the fission fragment mass-yields of actinide isotopes. The results are compared with…
Alternation in various properties of n-alkanes (CnH2n+2) as a function of carbon content (n) is termed odd-even effect. Here, we report a comprehensive molecular dynamics simulation study on n-alkane systems carried out with n ranging…
Coefficients of surface tension for even-even nuclei were estimated using its dependence of nuclear rigidity. The values of nuclear rigidity were obtained owing to its connection to mean squared deformations. The correlation of estimated…
We present an approach for the calculation of odd-nuclei with exact self-consistent blocking and particle number and angular momentum projection with the finite range density dependent Gogny force. As an application we calculate the nucleus…
The aim of this work is to develop the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) theory based on the point-coupling density functionals and extend it to provide a unified description for all even-even nuclei in…
We use energy minimization principles to predict the structure of a decagonal quasicrystal - d(AlCoNi) - in the Cobalt-rich phase. Monte Carlo methods are then used to explore configurations while relaxation and molecular dynamics are used…
We describe the excitation spectrum of a two-component neutral Fermi gas in the superfluid phase at finite temperature by deriving a suitable Random-Phase approximation with the technique of functional derivatives. The obtained spectrum for…
Spectroscopic properties of low-lying states and cluster structures in $^{12}$C are analyzed in a "beyond mean-field framework" based on global energy density functionals (EDFs). To build symmetry-conserving collective states,…
The structural, electronic and optical properties of nearly ferromagnetic compound HfZn2 have been studied using ab-initio technique. We have carried out the plane-wave pseudopotential approach within the framework of the first-principles…