Quasi-molecular orbital calculation using the DV-Xα method in Ne-Ne collisions

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    Abstract

    Molecular orbital calculations were performed for Ne-Ne quasi-molecules formed during collisions by changing the internuclear distance between 0.01 and 10 a.u. using the discrete variational (DV)-Xα MO calculational method. The equilibrium number of electrons on the basis atomic orbitals were estimated as a function of internuclear distance from which the critical internuclear distance to form quasi-molecular orbitals were deduced.

    Original languageEnglish
    Pages (from-to)66-68
    Number of pages3
    JournalNuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
    Volume150
    Issue number1-4
    DOIs
    Publication statusPublished - 1999 Apr 2

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    ASJC Scopus subject areas

    • Surfaces, Coatings and Films
    • Instrumentation
    • Surfaces and Interfaces

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