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Title:Heh+, Hed+, And Het+ Potentials That Reproduce All Measured Energy Transitions, And Are Accurate Up To The Inclusion Of Relativistic And Leading Fourth Order Qed Effects In The Long-range Region Beyond Available Experiments
Author(s):Welsh, Staszek
Contributor(s):Dattani, Nikesh S.; Adamowicz, Ludwik; Wei-Cheng, Tung; Lach, Grzegorz; Puchalski, Mariusz
Subject(s):Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Abstract:According to the big bang theory, HeH$^+$ was the first molecule ever produced in our universe, along with He$_2^+$. It is also the simplest two-electron molecular system and lightest heteronuclear molecule, with a stable ground electronic state, aside from the isotopologues of H$_2$. These facts make HeH$^+$ very interesting for experimental studies of the early universe and theoretical studies of isotope effects including Born-Oppenheimer breakdown (BOB), as well as an extremely important benchmark system for \textit{ab initio} methods. However, no spectroscopic measurements, nor \textit{ab initio} calculations have been reported for HeT$^+$, and the most accurate empirical potentials for HeH$^+$ and HeD$^+$ are 15 years old and are unreliable outside of the data range. We build the most accurate analytical empirical potentials and BOB functions for HeH$^+$ and HeD$^+$ to date. These BOB functions are then used to predict the HeT$^+$ potential, and are in excellent agreement with our \textit{ab initio} potential for HeT$^+$. Outside the data-range, the MLR (Morse/long-range) model forces the analytic empirical potential to become the theoretically correct long-range potential based on the multipole polarizabilties of He. We include the dipole and quadrupole polarizabilities. The quadrupole value includes finite-mass and relativistic corrections, and an estimate of the leading $\alpha^3$ QED corrections. The dipole value includes finite-mass, relativistic, and QED corrections up to the leading term of the $\alpha^4$ effects.
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Welsh, S.; Dattani, N.S.; Adamowicz, L.; Wei-Cheng, T.; Lach, G.; Puchalski, M. HeH+, HeD+, AND HeT+ POTENTIALS THAT REPRODUCE ALL MEASURED ENERGY TRANSITIONS, AND ARE ACCURATE UP TO THE INCLUSION OF RELATIVISTIC AND LEADING FOURTH ORDER QED EFFECTS IN THE LONG-RANGE REGION BEYOND AVAILABLE EXPERIMENTS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FA02
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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