The O 1s photoelectron spectrum of water was recorded with the resolution high enough to resolve the vibrational structure of the O 1s-1 state and the lifetime width and the Franck-Condon (FC) factors were extracted. The experimental spectrum was reproduced well by the molecular ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method. The vibrational structure was attributed mostly to the bending mode of the core-ionized molecule.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry