Title of article
Zero point corrections to vertical excitation energies
Author/Authors
Davidson، نويسنده , , Ernest R. and Jarz?cki، نويسنده , , Andrzej A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
5
From page
155
To page
159
Abstract
Equations relating the vertical excitation or ionization energy to the average energy of the observed spectrum are derived. For the V–N transition of ethylene, this gives 7.8 eV for the vertical excitation energy. For the vertical ionization of ethylene, the average energy yields 10.73 eV while correction to the observed 0–0 energy suggests that 10.81 eV is a more accurate value.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772566
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