University of Illinois Urbana-Champaign

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

Welsh, Staszek

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FA02_Abstract.pdf
FA02_Abstract.txt
FA02_Presentation.pptx

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https://hdl.handle.net/2142/50980

Description

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
Issue Date
2014-06-20
Keyword(s)
Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Date of Ingest
  • 2014-09-17T16:55:41Z
  • 2015-04-14T18:38:27Z
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.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/50980
DOI
https://doi.org/10.15278/isms.2014.FA02
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY