Open AccessELECTRONIC STRUCTURE AND SHAPE RESONANCE OF DIATOMIC MOLECULE C2 AND C2+ AND C2-
Author(s) -
刘磊
Publication year - 1993
Publication title -
wuli xuebao
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.