Published June 1, 1975
| Published
Journal Article
Open
Configuration interaction studies of the excited states of water
Chicago
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Abstract
We report the results of extensive configuration interaction studies on 16 excited states of water. These states can be accurately described as corresponding to excitation from one of the highest two molecular orbitals (1b_1 or 3a_1) of the ground state into either the 3s or one of the three 3p Rydberg orbitals. The results provide the most accurate and consistent treatment of these states to date (within 0.1 eV for all known transitions) and form a reliable basis for the assignment of the photon and electron impact spectra of H_2O.
Additional Information
© 1975 American Institute of Physics. Received 27 December 1974. Supported by a grant (PF-042) from the President's Fund of Caltech. Partially supported by a grant (GP-40783X) from the National Science Foundation The authors wish to thank Dr. S. Trajmar, Dr. A. Chutjian, and.Dr. R. Hall for many helpful discussions and for making their experimental results available prior to publication. The programming assistance of Ms. J. Frawley is also gratefully acknowledged.Attached Files
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Additional details
- Eprint ID
- 33039
- Resolver ID
- CaltechAUTHORS:20120809-083128186
- Caltech President's Fund
- PF-042
- NSF
- GP-40783X
- Created
-
2012-08-09Created from EPrint's datestamp field
- Updated
-
2021-11-09Created from EPrint's last_modified field
- Other Numbering System Name
- WAG
- Other Numbering System Identifier
- 0072