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
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
Journal title :
Chemical Physics Letters