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Title: Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems

Abstract

Non-relativistic quantum chemical calculations of the particle mass, m{sub 2}{sup ±}, corresponding to the dissociation threshold in a range of Coulomb three-particle systems of the form (m{sub 1}{sup ±}m{sub 2}{sup ±}m{sub 3}{sup ∓}), are performed variationally using a series solution method with a Laguerre-based wavefunction. These masses are used to calculate an accurate stability boundary, i.e., the line that separates the stability domain from the instability domains, in a reciprocal mass fraction ternary diagram. This result is compared to a lower bound to the stability domain derived from symmetric systems and reveals the importance of the asymmetric (mass-symmetry breaking) terms in the Hamiltonian at dissociation. A functional fit to the stability boundary data provides a simple analytical expression for calculating the minimum mass of a third particle required for stable binding to a two-particle system, i.e., for predicting the bound state stability of any unit-charge three-particle system.

Authors:
; ;  [1]
  1. Department of Chemistry, University of Sussex, Falmer, Brighton BN1 9QJ (United Kingdom)
Publication Date:
OSTI Identifier:
22419922
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMS; COMPARATIVE EVALUATIONS; DISSOCIATION; HAMILTONIANS; MASS; MOLECULES; PARTICLES; STABILITY; THREE-BODY PROBLEM

Citation Formats

King, Andrew W., Herlihy, Patrick E., and Cox, Hazel, E-mail: h.cox@sussex.ac.uk. Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems. United States: N. p., 2014. Web. doi:10.1063/1.4890658.
King, Andrew W., Herlihy, Patrick E., & Cox, Hazel, E-mail: h.cox@sussex.ac.uk. Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems. United States. doi:10.1063/1.4890658.
King, Andrew W., Herlihy, Patrick E., and Cox, Hazel, E-mail: h.cox@sussex.ac.uk. Mon . "Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems". United States. doi:10.1063/1.4890658.
@article{osti_22419922,
title = {Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems},
author = {King, Andrew W. and Herlihy, Patrick E. and Cox, Hazel, E-mail: h.cox@sussex.ac.uk},
abstractNote = {Non-relativistic quantum chemical calculations of the particle mass, m{sub 2}{sup ±}, corresponding to the dissociation threshold in a range of Coulomb three-particle systems of the form (m{sub 1}{sup ±}m{sub 2}{sup ±}m{sub 3}{sup ∓}), are performed variationally using a series solution method with a Laguerre-based wavefunction. These masses are used to calculate an accurate stability boundary, i.e., the line that separates the stability domain from the instability domains, in a reciprocal mass fraction ternary diagram. This result is compared to a lower bound to the stability domain derived from symmetric systems and reveals the importance of the asymmetric (mass-symmetry breaking) terms in the Hamiltonian at dissociation. A functional fit to the stability boundary data provides a simple analytical expression for calculating the minimum mass of a third particle required for stable binding to a two-particle system, i.e., for predicting the bound state stability of any unit-charge three-particle system.},
doi = {10.1063/1.4890658},
journal = {Journal of Chemical Physics},
number = 4,
volume = 141,
place = {United States},
year = {Mon Jul 28 00:00:00 EDT 2014},
month = {Mon Jul 28 00:00:00 EDT 2014}
}