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Published June 1, 1975 | Version Published
Journal Article Open

Configuration interaction studies of the excited states of water

Creators

  • 1. ROR icon The Aerospace Corporation
  • 2. ROR icon California Institute of Technology

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.

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Additional details

Identifiers

Eprint ID
33039
Resolver ID
CaltechAUTHORS:20120809-083128186

Funding

Caltech President's Fund
PF-042
NSF
GP-40783X

Dates

Created
2012-08-09
Created from EPrint's datestamp field
Updated
2021-11-09
Created from EPrint's last_modified field

Caltech Custom Metadata

Other Numbering System Name
WAG
Other Numbering System Identifier
0072