Related papers: Structure properties of even-even actinides
A model of photoemission spectra of actinide compounds is presented. The complete multiplet spectrum of a single ion is calculated by exact diagonalization of the two-body Hamiltonian of the f^n shell. A coupling to auxiliary fermion states…
The interplay between quadrupole and octupole degrees of freedom is discussed in a series of neutron-rich actinides and superheavy nuclei with $92 \le$ Z $\le 110$ and $186 \le$ N $\le 202$. In addition to the static Hartree-Fock-Bogoliubov…
The multiconfiguration Dirac-Hartree-Fock method is applied to study the electron affinities of At and its homologous elements Cl, Br, and I. Our method of calculation is validated through the comparison with the available experimental…
Structural characterization of actinide nanoparticles (NPs) is of primary importance and hard to achieve, especially for non-homogeneous samples with NPs below 3 nm. By combining High Energy X-ray Scattering (HEXS) and…
We present the first set of results of solving the Hartree-Fock-Bogoliubov equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on a two-dimensional…
We present a method to calculate spectroscopic properties of odd-odd nuclei within the framework of the Interacting Boson-Fermion-Fermion Model based on the Gogny energy density functional. The $(\beta,\gamma)$-deformation energy surface of…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
We systematically determine ground-state and saddle-point shapes and masses for 1305 heavy and superheavy nuclei with $Z=98-126$ and $N=134-192$, including odd-$A$ and odd-odd systems. From these, we derive static fission barrier heights,…
New equiatomic nickel germanides MgNiGe, SrNiGe, and BaNiGe have been synthesized from the elements in sealed tantalum tubes using a high-frequency furnace. The compounds were investigated by X-ray diffraction both on powders and single…
We calculate the ground-state properties of well deformed, even-even N=Z nuclei in the region between Ni-56 and Sn-100 within two different approaches, focusing on the binding energy and deformation and pairing properties. First, we employ…
The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic…
We discuss approximate formulas for the dynamic structure factor of the one-dimensional Bose gas in the Lieb-Liniger model that appear to be applicable over a wide range of the relevant parameters such as the interaction strength,…
The Bogoliubov theory of a uniform weakly-nonideal Bose-Einstein condensate leads to a divergent expression for the kinetic energy of atoms. However, the latter can be determined provided that the dependence of the scattering length on…
First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Due to their flexibility and reactivity, carbon chains are suitable for…
Spectroscopic properties of odd-mass nuclei are studied within the framework of the interacting boson-fermion model (IBFM) with parameters based on the Hartree-Fock-Bogoliubov (HFB) approximation. The parametrization D1M of the Gogny energy…
A highly fluorinated anatase lattice has been recently reported, providing a new class of materials whose general chemical formula is $\rm Ti_{1- \mathit x}\square_{\mathit x}X_{4\mathit x}O_{2- 4\mathit x}$ (X$^-$ = F$^-$ or OH$^-$). To…
We intend to provide a consistent description of the even-even Hg isotopes, 172-200Hg, using the interacting boson model including configuration mixing. We pay special attention to the description of the shape of the nuclei and to its…
The accuracy of three different sets of Hartree-Fock-Bogoliubov calculations of nuclear binding energies is systematically evaluated. To emphasize minor fluctuations, a second order, four-point mass relation, which almost completely…
Molecular crystals are a prototypical class of van der Waals (vdW) bound organic materials with excited state properties relevant for optoelectronics applications. Predicting the structure and excited state properties of molecular crystals…
From Bohr-Mottelson model, a three parametric simple expression for the ground state rotational band of deformed even-even nuclei is deduced by incorporating the variable moment of inertia and the softness parameter. Our obtained results…