Title of article :
Quartet states of He+2
Author/Authors :
Hogreve، H. نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Pages :
-248
From page :
249
To page :
0
Abstract :
The low lying quartet spectrum of the molecular helium cation is investigated by configuration interaction calculations. Using large Gaussian basis sets, potential energy curves for n4 Sigma+u,g and n4 Piu,g are computed for the states n = 1,...,5. Several of these states lead to equilibrium configurations having rather extended bond lengths and some of them also a relatively large dissociation energy. The spectroscopic properties of these equilibrium configurations are studied. Quartet He+2 is most strongly bound in its lowest state 14 Sigmau with Re = 3.424 A and De = 1.348eV.
Keywords :
Organic compounds , Fullerenes , Infrared spectroscopy , Chemical synthesis , Electronic paramagnetic resonance (EPR)
Journal title :
MOLECULAR PHYSICS
Serial Year :
2000
Journal title :
MOLECULAR PHYSICS
Record number :
42079
Link To Document :
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