Related papers: Atomic and Molecular Impurities in $^4$He Clusters
We investigate the shifts of the core-level binding energies in small gold nanoclusters by using {\it ab initio} density functional theory calculations. The shift of the 4$f$ states is calculated for magic number nanoclusters in a wide…
The $\varphi^4$-theory is ubiquitous as a low-energy effective description of processes in all fields of physics ranging from cosmology and particle physics to biophysics and condensed matter theory. The topological defects, or kinks, in…
We have studied the structure of $^4$He droplets doped with magnesium atoms using density functional theory. We have found that the solvation properties of this system strongly depend on the size of the $^4$He droplet. For small drops, Mg…
Based on thermodynamic integration we introduce atoms in molecules (AIM) using the orbital-free framework of alchemical perturbation density functional theory (APDFT). Within APDFT, atomic energies and electron densities in molecules are…
Density functional theory is used to explore the possibility of inducing impurity band ferromagnetism in monolayers of semiconducting MoS2 by introducing holes into the narrow Mo 4d band that forms the top of the valence band. A large out…
Direct observations of the supposedly universal primordial deuterium abundance imply a relatively large baryon density $\Omega_B= (0.019-0.030)h^{-2}$ (95% C.L.). On the other hand, concordance between the previously accepted $^4 He$ and…
Recently, calculations of the ground states of the lightest nuclei have been performed using highly accurate data on realistic internucleon forces. In this paper, these results were used to describe the properties of nuclei with nucleon…
The application of density functional theory to nuclear structure is discussed, highlighting the current status of the effective action approach using effective field theory, and outlining future challenges.
We investigate the degree of $\alpha$ ($^4$He nucleus) clustering in the ground-state density profiles of $^{44}$Ti and $^{52}$Ti. Two types of density distributions, shell- and cluster-model configurations, are generated fully…
The density dependence of the symmetry energy in the equation of state of asymmetric nuclear matter (N/Z $>$ 1) is important for understanding the structure of systems as diverse as the atomic nuclei and neutron stars. Due to a proper lack…
The properties of few-body clusters (mass number $A \le 4$) are modified if they are immersed in a nuclear medium. In particular, Pauli blocking that reflects the antisymmetrization of the many-body wave function is responsible for the…
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules are performed to create a reference data set. The molecules are composed from carbon, hydrogen, nitrogen, oxygen, fluorine, sulfur,…
Heavy-ion collisions are a good tool to explore hot nuclear matter below saturation density. It has been established that if a nuclear system reaches the thermal and chemical equilibrium, this leads to scaling properties in the isotope…
The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions and astrophysical phenomena. A recently developed quantum statistical (QS) approach that takes the formation of…
The magnetic resonance spectrum of spin clusters formed in spin-Peierls magnets in the vicinity of impurity ions was investigated. The observed temperature dependences of the effective g-factor and the linewidth of the electron spin…
The electronic structure calculation for the nanoclusters of (AsSiTeB/SiAsBTe) quaternary semiconductor alloy belonging to the (III-V Group elements) is performed. The two clusters one in the linear form and the other in the bent form have…
Selected topics on halo and molecular states in light, neutron-rich nuclei are discussed. In particular, work on $x\alpha$:X$n$ structures is briefly reviewed. The use of proton radiative capture as a probe of clustering is also presented…
Dispersion corrected density functional theory ($\omega$B97X-D DFT) method is used to study the molecular hydrogen adsorption in $Ni_nMg_m$ $(1\geq n\geq 3,1\geq m\geq9)$ clusters. All these clusters can effectively adsorb multiple $H_2$ in…
The screening of a 2p core-hole in Na clusters is investigated using density functional theory applied to an extended jellium model with an all-electron atom in the center. The study is related to recent experiments at the free electron…
By means of Quantum Monte Carlo methods we calculate the binding energy of an impurity immersed in a Bose-Einstein condensate at T = 0. The focus is on the attractive branch of the Bose polaron and on the role played by the mass imbalance…