Related papers: Structure properties of even-even actinides
Using the density-functional-based tight-binding method we performed a systematic comparative study of stability, structural and electronic properties for 12 various types of graphene allotropes, which are likely candidates for engineering…
The odd-even staggerings (OES) on nuclear binding energies are studied systematically within the covariant density functional (CDF) theories, specifically the relativistic Hartree-Fock-Bogoliubov (RHFB) and the relativistic…
The structure of even-even $^{108-116}$Cd isotopes is investigated based on the self-consistent mean-field approach. By mapping the quadrupole-$(\beta,\gamma)$ deformation energy surface, obtained from the constrained self-consistent…
The isotopic evolution of the ground-state nuclear shapes and the systematics of one-quasiproton configurations are studied in odd-A Rubidium isotopes. We use a selfconsistent Hartree-Fock-Bogoliubov formalism based on the Gogny energy…
We study the effects of higher-order electronic correlations in the systems with particle-hole excited states using a relativistic hybrid method that combines configuration interaction and linearized coupled-cluster approaches. We find the…
We discuss the spectral, transport and magnetic properties of quantum nanowires composed of N\leq 13 atoms and containing either even or odd numbers of valence electrons. In our approach we combine Exact Diagonalization and Ab Initio…
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…
Actinide elements produce a plethora of interesting physical behaviors due to the 5f states. This review compiles and analyzes progress in understanding of the electronic and magnetic structure of the 5f states in actinide metals.…
The atomic structure and mechanical properties of the carbyne (monatomic linear chains), containing from 2 to 21 carbon atoms, are theoretically investigated by ab-initio methods. We demonstrate the existence of a stable cumulene-structure…
First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
We show by inherent structure (IS) analysis that the sharp composition dependent breakdown of the Stokes-Einstein relation correlates surprisingly well with an equally sharp non-monotonic variation in the average inherent structure (IS)…
An overview of some analytical approaches to the computation of the structural and thermodynamic properties of single component and multicomponent hard-sphere fluids is provided. For the structural properties, they yield a thermodynamically…
We employ combinatorial techniques to present an explicit formula for the coefficients in front of Chern classes involving in the Hattori-Stong integrability conditions. We also give an evenness condition for the signature of stably…
High-$K$ isomeric states in even-even and odd-mass nuclei are described within a mean-field framework with full blocking and using the finite range Gogny force. Theoretical calculations of low energy spectra of several nuclei across the…
We evaluate the performance of modern nuclear energy density functionals for predicting inner and outer fission barrier heights and energies of fission isomers of even-even actinides. For isomer energies and outer barrier heights, we find…
The quadrupole-octupole coupling and the related spectroscopic properties have been studied for the even-even light actinides $^{218-238}$Ra and $^{220-240}$Th. The Hartree-Fock-Bogoliubov approximation, based on the Gogny-D1M energy…
This Perspective article provides an overview of some of our analytical approaches to the computation of the structural and thermodynamic properties of single-component and multicomponent hard-sphere fluids. For the structural properties,…
Collective properties of the even-even 118-144Xe isotopes have been studied within a model employing the general Bohr Hamiltonian derived from the mean-field theory based on the UNEDF0 energy functional. The calculated low energy spectra…
Uranium and plutonium's 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (eg. the six different allotropes of…