Abstract
An ab initio calculation is carried out for the system H2O–He* (2 3S) →H2O+(2B1,2A1,2B2)+He+e−. Not only the potential for the resonance H2O–He* (2 3S) state and for the ionized H2O+–He, but also the widths into three different ionized states are calculated with the Feshbach projection operator method. The resonance potential has an attractive well in the direction of lone pairs of the O atom of H2O. The well depth is estimated to be about 450 meV. The potential is compared with those for the same or similar system. The widths obtained reflect distributions of the molecular orbital of the target molecule concerned with the relevant ionization and that ionization into totally symmetric states is favored. The analyses of partial waves of emitted electrons leads to the conclusion that the σ electrons are mainly emitted in regard to the H2O–He pseudoaxis. The obtained results are consistent with results of Penning ionization electron spectroscopy.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
