DISCRETE-CONTINUUM INTERACTION FOR THE CORE-HOLE STATE OF WATER

The interaction of the metastable core-hole state of the water molecule with the continua corresponding to the Auger decay channels has been evaluated in order to derive an energy contribution to the core-hole ionization potential not included in standard variational calculations. The value obtained (0.06 eV) is smaller than the relativistic and vibronic corrections but it is not negligible, considering the experimental accuracy.