Title of article :
The ionization energy of KO2(X̃2A2) and dissociation energies of KO2 and KO2+
Author/Authors :
Lee، نويسنده , , Edmond P.F and Wright، نويسنده , , Timothy G، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
6
From page :
139
To page :
144
Abstract :
RCCSD(T) calculations, with an effective core potential for the inner electrons of potassium, and large polarized valence basis sets, have been used to calculate ionization energies of KO2. In addition, the binding energies of the ground electronic states of KO2, X̃2A2, and KO2+, X3Σ−, have been determined. Comparison with previous values is made, where possible, and an estimate made of the errors in our calculations. The binding energy of KO2+ is found to be very limited. It is concluded that the rôle of KO2+ in the upper atmosphere will be small.
Journal title :
Chemical Physics Letters
Serial Year :
2002
Journal title :
Chemical Physics Letters
Record number :
1782077
Link To Document :
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