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

Lei Liu | Zendy

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

Author(s) -

Lei Liu

Publication year - 1993

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.42.563

Subject(s) - antibonding molecular orbital , diatomic molecule , resonance (particle physics) , shape resonance , atomic physics , physics , molecular orbital , atomic orbital , electron , molecule , molecular physics , quantum mechanics

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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