A simple but accurate ‘‘core‐tail’’ pseudopotential approach to the calculation of the conduction‐band energy V0 of quasifree excess electrons and positrons in nonpolar fluids

作者: B. Plenkiewicz , Y. Frongillo , J.‐M. Lopez‐Castillo , J.‐P. Jay‐Gerin

DOI: 10.1063/1.471640

关键词: Scattering lengthPseudopotentialPositronElectronMean field theoryAtomic physicsAtomPolarizabilityChemistryMolecule

摘要: The conduction‐band minimum energy V0 (relative to vacuum) of quasifree excess electrons and positrons in fluid rare gases, methane, silane is calculated as a function density n. calculations are performed within the framework Wigner–Seitz mean‐field approximation for nonpolar fluids, using simple ‘‘core‐tail’’ pseudopotential model electron (positron)–atom/molecule interactions. This determined only by atomic/molecular polarizability (positron) scattering length. Despite simplicity our approach, present V0(n) results, which contain no adjustable parameters, show close agreement with those obtained more elaborate potentials available experimental data.

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