Related papers: Atomic and Molecular Impurities in $^4$He Clusters
Influence of surrounding matter on the properties of clusters is considered by an approach combining the methods of statistical and quantum mechanics. A cluster is treated as a bound N-particle system and surrounding matter as thermostat.…
Metal clusters are partway between molecular and bulk systems and thus exhibit special physical and chemical properties. Atoms can rearrange within a cluster to form different structural isomers. Internal degrees of freedom and the…
A brief history of the impurity theories in semiconductors is provided. A bound exciton model is proposed for both donor- and acceptor- like impurities and point defects, which offers a unified understanding for "shallow" and "deep"…
Anions and radicals are important for many applications including environmental chemistry, semiconductors, and charge transfer, but are poorly described by the available approximate energy density functionals. Here we test an approximate…
In this review, we discuss recent applications of the ab initio symmetry-adapted no-core shell-model (SA-NCSM) theory for study and prediction of structure and reactions of stable and unstable nuclei from light to medium mass range. We…
Atom-dimer exchange and dissociation reaction rates are predicted for different combinations of two $^4$He atoms and one of the alkaline species among $^{6}$Li, $^{7}$Li and $^{23}$Na, by using three-body scattering formalism with…
The ^4He_3 bound states and the scattering of a ^4He atom off a ^4He dimer at ultra-low energies are investigated using a hard-core version of the Faddeev differential equations. Various realistic ^4He-^4He interactions were employed, amomg…
At low densities, with decreasing temperatures, in symmetric nuclear matter alpha-particles are formed, which eventually give raise to a quantum condensate with four-nucleon alpha-like correlations (quartetting). Starting with a model of…
Density Functional Theory (DFT) calculations show a weak interaction between hydrogen and helium in iron, in contrast to previous reports of a strong trapping of hydrogen at helium. The strong preference of He and H to occupy regions with…
Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li- and Al4Na-) and anti-aromatic (Al4Li4 and Al4Na4) compounds.…
Recent measurements by Yorozu et al. (S. Yorozu, H. Fukuyama, and H. Ishimoto, Phys. Rev. B 48, 9660 (1993)) as well as by Simons and Mueller (R. Simons and R. M. Mueller, Czhechoslowak Journal of Physics Suppl. 46, 201 (1976)) have…
High resolution spectroscopy of doped molecules in 4He nano-droplets and clusters gives a signature of superfluidity in microscopic system, termed as microscopic superfluidity. Ro-vibrational spectrum of 4HeN-M clusters is studied with the…
We apply density functional theory to study the freezing of superfluid {$^{4}\rm{He}$}, charged bosons and charged fermions at zero temperature. We employ accurate Quantum Monte Carlo data for the linear response function in the uniform…
We have investigated the influence of impurities on the possible supersolid transition by systematically enriching isotopically-pure 4He (< 1 ppb of 3He) with 3He. The onset of nonclassical rotational inertia is broadened and shifts…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
In this work we have applied the recently formulated self-compressed inhomogeneous stabilized jellium model [M. Payami and T. Mahmoodi, Can. J. Phys. {\bf 89}, 967 (2011)] to describe the equilibrium electronic and geometric properties of…
The ground state energy of ideal alpha-matter at T=0 is analyzed within the framework of variational theory of Bose quantum liquids. Calculations are done for three local alpha-alpha potentials with positive volume integrals and two-body…
The extraction of nuclear matter properties from measured nuclear masses is investigated in the energy density functional formalism of nuclei. It is shown that the volume energy $a_1$ and the nuclear incompressibility $K_0$ depend…
In this paper we report the structure of the Li4Ge4 cluster as a function of charge transfer and polarizability. We find that for small charge transfer (Q < 0.5) this cluster has the expected cubic structure: a Ge4 tetrahedron with a Li ion…
We demonstrate the capability of coupled-cluster theory to compute the Coulomb sum rule for the $^4$He and $^{16}$O nuclei using interactions from chiral effective field theory. We perform several checks, including a few-body benchmark for…