Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations

Barry Peter Mant, Mark McGregor Law, Krzysztof Strasburger
2019 Journal of Physics B: Atomic, Molecular and Optical Physics  
We have calculated ground state interaction energies for an antihydrogen atom and a hydrogen molecule within the Born-Oppenheimer approximation. Leptonic energies were calculated using a large basis set of explicitly correlated Gaussian functions. Energies were calculated at over 2800 geometries including different proton-proton distances. The energies have been fit to functional forms using a neural network for the short-range interaction which is combined with asymptotic formulas at long
more » ... . A two-dimensional rigid rotor and a three-dimensional atommolecule potential energy surface (PES) have been determined. Rigid-rotor scattering calculations on these surfaces have been carried out using the S-matrix Kohn variational method with a two-dimensional Gaussian basis set. We have calculated cross sections for elastic, rotationally inelastic and annihilation collisions on the two-dimensional PES. This includes the first calculation of leptonic annihilation for this system. Supplementary material for this article is available online
doi:10.1088/1361-6455/ab312e fatcat:mt2fgigfvfcipopinxsmb4duyy