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