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Title: Energy of the quasi-free electron in H{sub 2}, D{sub 2}, and O{sub 2}: Probing intermolecular potentials within the local Wigner-Seitz model

We present for the first time the quasi-free electron energy V{sub 0}(ρ) for H{sub 2}, D{sub 2}, and O{sub 2} from gas to liquid densities, on noncritical isotherms and on a near critical isotherm in each fluid. These data illustrate the ability of field enhanced photoemission (FEP) to determine V{sub 0}(ρ) accurately in strongly absorbing fluids (e.g., O{sub 2}) and fluids with extremely low critical temperatures (e.g., H{sub 2} and D{sub 2}). We also show that the isotropic local Wigner-Seitz model for V{sub 0}(ρ) — when coupled with thermodynamic data for the fluid — can yield optimized parameters for intermolecular potentials, as well as zero kinetic energy electron scattering lengths.
Authors:
;  [1] ; ;  [2]
  1. Department of Chemistry and Biochemistry, Queens College – CUNY, Flushing, New York 11367 (United States)
  2. School of Sciences, University of Louisiana at Monroe, Monroe, Louisiana 71209 (United States)
Publication Date:
OSTI Identifier:
22493313
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 22; Other Information: (c) 2015 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; CRITICAL TEMPERATURE; DENSITY; DEUTERIUM; ELECTRONS; HYDROGEN; ISOTHERMS; KINETIC ENERGY; LIQUIDS; OXYGEN; PHOTOEMISSION; POTENTIALS; PROBES; SCATTERING LENGTHS; WIGNER-SEITZ METHOD; YIELDS