Related papers: Structure properties of even-even actinides
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
A new method for direct evaluation of both crystalline structure, bulk modulus B_0, and bulk-modulus pressure derivative B'_0 of solid materials with complex crystal structures is presented. The explicit and exact results presented here…
The ground state electronic structures of the actinide oxides AO, A2O3 and AO2 (A=U, Np, Pu, Am, Cm, Bk, Cf) are determined from first-principles calculations, using the self-interaction corrected local spin-density (SIC-LSD) approximation.…
Ab initio molecular dynamics simulation is used to study the structure and electronic properties of the liquid Ga-Se system at the three compositions Ga$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. The calculated…
We have developed an efficient and reliable methodology for crystal structure prediction, merging ab initio total-energy calculations and a specifically devised evolutionary algorithm. This method allows one to predict the most stable…
Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure phenomena. The current investigation aims at the global assessment of the accuracy of the description of the ground state…
The dynamic structure factor of a trapped Bose-Einstein condensed gas is investigated at zero temperature in the framework of Bogoliubov theory. Different values of momentum transfer are considered, ranging from the phonon to the…
In the previous paper I \cite{bhagwat20} we have shown that self-consistent Extended Thomas-Fermi (ETF) potentials and densities associated with a given finite-range interaction can be parametrized by generalized Fermi distributions. As a…
Protactinium ($Z$ = 91) is a very rare actinide with peculiar physico-chemical properties. Indeed, although one may naively think that it behaves similarly to either thorium or uranium by its position in the periodic table, it may in fact…
Equilibrium atomic configurations and electron energy structure of ethanol adsorbed on the Si (111) surface are studied by the first-principles density functional theory. Geometry optimization is performed by the total energy minimization…
A condition for a statistical manifold to have an equiaffine structure is studied. The facts that dual flatness and conjugate symmetry of a statistical manifold are sufficient conditions for a statistical manifold to have an equiaffine…
Surface properties of neutron-neutron (T=1) pairing in semi-infinite nuclear matter in a hard wall potential are investigated in BCS approximation using the Gogny force. Surface enhancement of the gap function, pairing tensor and…
We compute with lattice field theory the vector and axial static structure factors of the unitary gas for arbitrary temperature above the superfluid transition and for fugacities 0.1 < z < 1.0. Using the lattice formulation, we calculate…
The shell structure of even-even isotopes in Si, S, Ar and Ca has been analysed. The theoretical calculations of shell closure parameter $D_{n} (N)$ and the differential variation of the two-neutron separation energy $dS_{2n} (Z, N )$ are…
Stability of numerous unexpected actinium hydrides was predicted via evolutionary algorithm USPEX. Electron-phonon interaction was investigated for the hydrogen-richest and most symmetric phases: R$\overline{3}$m-$AcH_{10}$,…
We study the role of configuration mixing in the heavier even-even isotopes of Argon. We begin by limiting the configurations of the even-even Ar isotopes to $(d_{3/2}^2)_{\pi}$ $(f_{7/2}^n)_{\nu}$. There, due to the particular location in…
Binary uranium hydrides, UHx (x = 1, 2, 3, 5, 6, 7, 8), with different crystal symmetries are potentially interesting compounds for high-Tc superconductivity and as hydrogen storage systems. In this work we have explored the structural,…
A multiconfiguration microscopic method has been applied with the Gogny effective interaction to the calculation of low-lying positive-parity states in even-even $^{26-28}$Si isotopes. The aim of the study is to compare the results of this…
The electronic structures of several actinide solid systems are calculated using the self-interaction corrected local spin density approximation. Within this scheme the $5f$ electron manifold is considered to consist of both localized and…
The parametrization D1M of the Gogny energy density functional is used to study fission in the odd-mass Uranium and Plutonium isotopes with A=233,\ldots,249 within the framework of the Hartree-Fock-Bogoliubov (HFB) Equal Filling…