In order to represent the potential energy function over the whole range of R, many potentialenergy functions have been proposed. In the present paper, we employ many potential energyfunctions, to use Numerov method for solving the nuclear Schrödinger equation for the IFmolecule, as an example of a heteronuclear diatomic molecules. Then we determine thespectroscopic constants eω , e e x ω , e B...

in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...

We present a systematic understanding of the rotational structure of a long-range (vibrationally highly-excited) diatomic molecule. For example, we show that depending on a quantum defect, the leastbound vibrational state of a diatomic molecule with −Cn/r (n > 2) asymptotic interaction can have only 1, 2, and up to a maximum of n − 2 rotational levels. A classification scheme of diatomic molecu...

A theoretical approach to calculating the dipole moment function of a diatomic molecule at very small internuclear separations has been suggested. The approach is based on the united-atom model and the LS-coupling approximation. Regularities in the behavior of the dipole moments as functions of the internuclear separation, electronic state, and nuclear charge of the molecule have been found. Wi...

We investigate a pair entanglement of electrons in diatomic molecule, modeled as a correlated double quantum dot attached to the leads. The low-temperature properties are derived from the ground state obtained by utilizing the Rejec-Ramšak variational technique within the framework of EDABI method, which combines exact diagonalization with ab initio calculations. The results show, that single-p...