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Horacio Olivares Pilon

Publications and source records attributed to Horacio Olivares Pilon.

2 recordsLinked to original sources

ClF diatomic molecule: rovibrational spectra

Following the first principles the analytic Born-Oppenheimer (BO) potential curve for the ground state $X^1Σ^+$ of the molecule ClF is proposed for whole range of internuclear distances $R \in [0,\infty)$. It is based on matching the perturbation theory at small internuclear distances $R$ and multipole expansion at large distances $R$, it has the form of two-point Pade approximant and provides 3-4 figures in rovibrational energies. It supports 5719 rovibrational states with maximal vibrational number $ν_{max} = 47$ and maximal angular momentum $L_{max} = 210$ including 36 weakly-bound states close to threshold (to dissociation limit) with the energies $\lesssim 10^{-4}$ Hartree. The van der Waals constant $C^{(ClF)}_6\ \sim\ 29.3$ a.u. is predicted.

physics.chem-ph↗

Helium-like and Lithium-like ions: Ground state energy

It is shown that the non-relativistic ground state energy of helium-like and lithium-like ions with static nuclei can be interpolated in full physics range of nuclear charges $Z$ with accuracy of not less than 6 decimal digits (d.d.) or 7-8 significant digits (s.d.) using a meromorphic function in appropriate variable with a few free parameters. It is demonstrated that finite nuclear mass effects do not change 4-5 s.d. for $Z \in [1,50]$ for 2-,3-electron systems and the leading relativistic and QED corrections leave unchanged 3-4 s.d. for $Z \in [1,12]$ in the ground state energy for 2-electron system, thus, the interpolation reproduces definitely those figures. A meaning of proposed interpolation is in a construction of unified, {\it two-point} Pade approximant (for both small and large $Z$ expansions) with fitting some parameters at intermediate $Z$.

physics.atom-ph↗