Stråhlman, C., Moog, B., Ertan, E., Odelius, M., Kivimäki, A., Richter, R., Sankari, R. (2018) Selective negative-ion formation from core-valence doubly excited states of the water molecule. Physical Review A, 98 (5), 053432. doi:10.1103/PhysRevA.98.053432
Selective negative-ion formation from core-valence doubly excited states of the water molecule
|Author:||Stråhlman, Christian1; Moog, Bruno2,3; Ertan, Emelie4;|
1Department of Materials Science and Applied Mathematics, Malmö University
2Optoelectronics Research Centre, University of Southampton, Highfield Campus
3MAX IV Laboratory, Lund University
4Department of Physics, Stockholm University, AlbaNova University Center
5Nano and Molecular Systems Research Unit, University of Oulu
|Online Access:||PDF Full Text (PDF, 0.5 MB)|
|Persistent link:|| http://urn.fi/urn:nbn:fi-fe201901091756
American Physical Society,
|Publish Date:|| 2019-01-09
This study focuses on the role of negative-ion formation in the decay of core-valence doubly excited water molecules. Combining negative- and positive-ion coincidence measurements with calculated energies of core-valence doubly excited states, we find that O⁻ and H⁻ production is enhanced selectively. In particular, we suggest that O⁻ production is correlated to double occupancy of the antibonding 4a₁ virtual orbital, while H⁻ appears at electronic states with double occupancy in 2b₂. We also show that H⁻ and O⁻can be created as a result of electron recapture close to the O 1s ionization potential.
Physical review. A
|Type of Publication:||
A1 Journal article – refereed
|Field of Science:||
114 Physical sciences
This work was supported by the Swedish Research Council. The quantum chemical (raspt2) calculations were partially performed on resources provided by the Swedish National Infrastructure for Computing (SNIC).
© 2018 American Physical Society. Published in this repository with the kind permission of the publisher.