Experimental 1s linewidths for compounds containing carbon, nitrogen, and oxygen are much greater than those predicted for the free atoms. Using a one-center model, we have determined the effect of molecular composition on the linewidth. The predicted linewidth in methane is 1.7 times that for a carbon atom. Increasing the electronegativity of ligands decreases the predicted linewidth; this result is in contrast to the predictions of the multicenter model [E. Hartmann, J. Phys. B 21, 1173 (1988)]. Except for ${\mathrm{CO}}_2$, the theoretical linewidths are in good agreement with experiment.

• Received 12 June 1990

DOI:https://doi.org/10.1103/PhysRevA.43.6053