Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations

B P Mant, M M Law (Corresponding Author), K Strasburger

Research output: Contribution to journalArticle

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 languageEnglish
Article number185201
JournalJournal of Physics B: Atomic and Molecular Physics
Volume52
Issue number18
Early online date11 Jul 2019
DOIs
Publication statusPublished - 23 Aug 2019

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potential energy
rigid rotors
hydrogen
scattering
atoms
molecules
Born-Oppenheimer approximation
protons
energy
inelastic collisions
interactions
collisions
ground state
cross sections
matrices
geometry

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

Cite this

Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations. / Mant, B P; Law, M M (Corresponding Author); Strasburger, K.

In: Journal of Physics B: Atomic and Molecular Physics, Vol. 52, No. 18, 185201, 23.08.2019.

Research output: Contribution to journalArticle

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note = "We are grateful for helpful discussions with Edward Armour, Martin Plummer and Gleb Gribakin. This work was supported by the UK Engineering and Physical Sciences Research Council (EPSRC) via a Doctoral Training Account studentship for BPM, grant number EP/K502960/1. The contribution of KS was financed by the statutory activity subsidy from the Polish Ministry of Science and Higher Education for the Faculty of Chemistry of Wrocław University of Science and Technology (contract number 0401/0121/18). We thank the EPSRC-funded CCPQ consortium and the Royal Society of Chemistry for further financial support. We also thank the referees for their comments on the manuscript.",
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