Related papers: Ground state properties and shape evolution in Pt …
The correlation between electrons in different quantum wires is expected to affect the electronic properties of quantum electron-electron biwire systems. Here, we use the variational Monte Carlo method to study the ground-state properties…
The correlated basis function theory is applied to the study of medium-heavy doubly closed shell nuclei with different wave functions for protons and neutrons and in the jj coupling scheme. State dependent correlations including tensor…
The ground state bulk properties such as binding energy, root-mean-square radius, pairing energy, nuclear density distributions, and single-particle energies are calculated for the isotopic chain of Ca, Sn, Pb, and Z = 120 nuclei. The…
The systematic investigation of the ground state and fission properties of even-even actinides and superheavy nuclei with $Z=90-120$ from the two-proton up to two-neutron drip lines with proper assessment of systematic theoretical…
The nonaxial octupole shape in some nuclei with $N = 184$, namely, $^{284}$Fm, $^{286}$No, $^{288}$Rf, and $^{290}$Sg, is investigated using covariant density functional theories. Employing the density-dependent point-coupling covariant…
Covariant density functional theory is solved in 3D lattice space by implementing the preconditioned conjugate gradient method with a filtering function (PCG-F). It considerably improves the computational efficiency compared to the previous…
First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…
The ground-state properties of 64Ge, 68Se, 72Kr and 76Sr (N=Z) nuclei have been investigated by using Hartree-Fock-Bogolibov (HFB)method with Sly4 Skyrme forces and Relativistic Mean Field (RMF) model with NL3 and recently proposed DEFNE…
The evolution of shapes and low-energy shape coexistence is analyzed in neutron-deficient Nd and Sm nuclei, using a five-dimensional quadrupole collective Hamiltonian (5DCH). Deformation energy surfaces, calculated with the relativistic…
The ground state of the bilayer Kitaev model with the Heisenberg-type interlayer exchange interaction is investigated by means of the exact diagonalization. Calculating the ground-state energy, local quantity defined on each plaquette, and…
First calculations for deformed nuclei with the Fayans functional are carried out for the uranium and lead isotopic chains. The ground state deformations and deformation energies are compared to Skyrme-Hartree-Fock-Bogolyubov results of…
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…
We present a systematic study on the structural properties of odd-$Z$ superheavy nuclei with proton numbers $Z=117, 119$, and neutron numbers $N$ increasing from $N=170$ to the neutron dripline within the framework of axially deformed…
The multidimensionally-constrained covariant density functional theories (MDC-CDFTs) have been developed to study the influence of octupole and triaxial deformations on the ground state and fission properties. In this paper, we present a…
Compass models provide insights into the properties of Mott-insulating materials that host bond-dependent anisotropic interactions between their pseudospin degrees of freedom. In this article, we explore the classical and quantum ground…
We studied the ground and excited states properties for Zr isotopes starting^M from proton to neutron drip-lines using the relativistic and non-relativistic mean field formalisms with BCS and Bogolyubov pairing. The celebrity NL3 and SLy4…
Relativistic mean field theory with the NL3 force is used for producing potential energy surfaces (PES) for series of isotopes suggested as exhibiting critical point symmetries. Relatively flat PES are obtained for nuclei showing the E(5)…
Parametric correlations are studied in several classes of covariant density functional theories (CDFTs) using a statistical analysis in a large parameter hyperspace. In the present manuscript, we investigate such correlations for two…
We have calculated the ground state electronic structure of He under pressure from 0 to 1500 GPa using both all-electron full-potential and pseudopotential methods based on the density functional theory (DFT). We find that throughout this…
The phonon spectrum of cubic BaThO$_3$ with the perovskite structure is calculated from first principles within the density functional theory. The analysis of unstable modes in the phonon spectrum enables to determine the symmetry of all…