Related papers: Atomic properties of superheavy elements No, Lr, a…
Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was…
Extensive calculations of the electric-dipole matrix elements in alkali-metal atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of…
Energy levels of the $1sns$ and $1snp$ states of ions along the helium isoelectronic sequence from carbon to uranium are calculated, with $n=3$-$7$. The computation is performed within the relativistic configuration-interaction method,…
The recently developed method combining the configuration interaction and the coupled-cluster method was demonstrated to provide accurate treatment of correlation corrections in divalent atomic systems [M.S.Safronova, M.G.Kozlov, and…
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
We calculate the reaction and the fusion cross-sections of neutron-rich heavy nuclei taking light exotic isotopes as projectiles. Results of neutron-rich Pb and U isotopes are demonstrated as the representative targets and He, B as the…
In order to study ultracold charge-transfer processes in hybrid atom-ion traps, we have mapped out the potential energy curves and molecular parameters for several low lying states of the Rb, Yb$^+$ system. We employ both a multi-reference…
Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…
We present electric dipole polarizabilities ($\alpha_d$) of the alkali-metal negative ions, from H$^-$ to Fr$^-$, by employing four-component relativistic many-body methods. Differences in the results are shown by considering Dirac-Coulomb…
The synthesis of superheavy elements stimulates the effort to study the peculiarities of the complete fusion with massive nuclei and to improve theoretical models in order to extract knowledge about reaction mechanism in heavy ion…
Molecules containing superheavy atoms can be artificially created to serve as sensitive probes for study of symmetry-violating phenomena. Here, we provide a detailed theoretical study for diatomic molecules containing the superheavy…
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…
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states, are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static…
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the…
Knowing oxide-forming ability is vital to gain desired or avoid deleterious oxides formation through tuning oxidizing environment and materials chemistry. Here, we have conducted a comprehensive thermodynamic analysis of 137 binary oxides…
The electric polarizability and logarithmic mean-excitation energy are calculated for the deuteron using techniques introduced in atomic physics. These results are then used to improve limits on the atomic-deuterium frequency shift due to…
Analytic expressions are given for the baryonic, electric and strangeness chemical potentials which explicitly show the importance of various terms. Simple scaling relations connecting these chemical potentials are found. Applications to…
Quantum-mechanical shell effects are expected to strongly enhance nuclear binding on an "island of stability" of superheavy elements. The predicted center at proton number $Z=114,120$, or $126$ and neutron number $N=184$ has been…
We present recent results for neutron-rich Helium isotopes obtained from the hyperspherical harmonics method. Ground-state properties, like the binding energy and the point-proton radius are shown for the two-neutron halo nucleus 6He using…
The two-electron problem for the helium-like atom/ions in $S$-state is considered. The basis containing the integer powers of $\ln r$, where $r$ is a radial variable of the Fock expansion, is studied. In this basis, the analytic expressions…