Hybrid systems of laser-cooled trapped ions and ultracold atoms combined in a single
experimental setup have recently emerged as a new platform for fundamental research in …

A self‐consistent system of additive covalent radii, R (AB)= r (A)+ r (B), is set up for the entire
periodic table, Groups 1–18, Z= 1–118. The primary bond lengths, R, are taken from …

We theoretically characterize interactions, energetics, and chemical reaction paths in ionic
two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the …

We report a computational study on homo-and heteronuclear e+ [X− Y−] compounds formed
by two halide anions (X−, Y−= F−, Cl−, Br−) and one positron. Our results indicate the …

The adiabatic potential energy curves and the permanent and transition dipole moments of
the low-lying electronic states of the NaLi molecule dissociating into Na (3s, 3p, 4s, 3d, 4p)+ …

Despite the success of the molecular orbital (MO) and valence-bond (VB) models to
describe the electronic structure and properties of molecules, neither MO nor VB provides an …

This paper presents an extensive ab initio investigation of the electronic properties and
elastic collisions of charged diatomic systems FrLi+ and FrNa+. We employ an accurate ab …

The potential energy curves and the spectroscopic constants of the electronic states of 2Σg,
u+, 2Πg, u and 2Δg, u symmetries of Li2+ ionic system dissociating into Li (2s, 2p, 3s, 3p, 3d …

The electronic structure and the spectroscopic properties for low‐lying electronic states of
the LiRb+ molecular ion, dissociating into Li (2s, 2p, 3s, 3p, 3d, 4s, and 4p)+ Rb+ and Li++ …

We study theoretically the structure and spectroscopic properties of the alkali alkaline-earth
(LiBe)+ ion. The potential energy curves and their spectroscopic parameters, permanent and …