Highly accurate bound state calculations of the two-center molecular ions by using the universal variational expansion for three-body systems

Abstract

The universal variational expansion for the non-relativistic three-body systems is explicitly constructed. Three-body universal expansion can be used to perform highly accurate numerical computations of the bound state spectra in arbitrary three-body systems, including Coulomb three-body systems with arbitrary particle masses and electric charges. Our main interest is related to the adiabatic three-body systems which contain one bound electron and two heavy nuclei of hydrogen isotopes: the protium $p$, deuterium $d$ and tritium $t$. We also consider the analogous (model) hydrogen ion ${}^{\infty}$H$^{+}_2$ with the two infinitely heavy nuclei. PACS number(s): 36.10.-k and 36.10.Dr