Abstract
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 range. A two-dimensional rigid rotor and a three-dimensional atom-molecule 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.
Original language | English |
---|---|
Article number | 185201 |
Number of pages | 14 |
Journal | Journal of Physics B: Atomic, Molecular and Optical Physics |
Volume | 52 |
Issue number | 18 |
Early online date | 23 Aug 2019 |
DOIs | |
Publication status | Published - 28 Sep 2019 |
Keywords
- antihydrogen
- matter-antimatter interactions
- low energy scattering
- potential energy surface
- elastic scattering
- inelastic scattering
- annihilation
- CORRELATED GAUSSIAN FUNCTIONS
- S-MATRIX VERSION
- VARIATIONAL CALCULATIONS
- TRIATOMIC-MOLECULES
- GROUND-STATE
- HE
- DYNAMICS
- SYSTEMS
- CHARGE
Fingerprint Dive into the research topics of 'Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations'. Together they form a unique fingerprint.
Profiles
-
Mark Law
- Chemistry (Research Theme)
- School of Natural & Computing Sciences, Chemistry - Senior Lecturer
Person: Academic