ELECTRONIC STRUCTURE AND SHAPE RESONANCE OF DIATOMIC MOLECULE C2 AND C2+ AND C2-

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1993Publisher:Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of SciencesJournal:Acta Physica Sinica, volume 42, page 563 (issn: 1000-3290, eissn: 1000-3290,

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Authors: null LIU LEI;

doi: 10.7498/aps.42.563

ELECTRONIC STRUCTURE AND SHAPE RESONANCE OF DIATOMIC MOLECULE C2 AND C2+ AND C2-

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Abstract

We present a theoretical study of electronic structures and shape resonances of diatomic molecule C2 and C2+ and C2- Shape resonances are essentially quasi-bound states which are intimately connected with antibonding molecular orbitals. It is found that as the number of electrons decreases, the energy positions of the shape resonances shift downward, and as the corresponding antibonding molecular orbitals lie below the ionization threshold, the shape resonances disappear.

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