We demonstrate high accuracy calculations for the HeH
molecule using
newly developed analytic formulas for two-center two-electron integrals with
exponential functions. The Born-Oppenheimer potential for the ground electronic
state is obtained in the range of 0.1 -- 60 au with precision of
about
au. As an example at the equilibrium distance
au the
... [Show full abstract] Born-Oppenheimer potential amounts to .
Obtained results lay the ground for theoretical predictions in HeH with
spectroscopic precision.