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

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

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

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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