Published December 1, 1980
| public
Journal Article
The Rydberg states of trans-1, 3-5-hexatriene from ab initio and configuration interaction calculations
Chicago
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Abstract
Self-consistent ab initio and configuration interaction (CI) calculations are presented for the Rydberg states of the trans-1,3,5-hexatriene molecule. Seven Rydberg series were identified. four optically allowed (ns, (nd_z)², nd_(xy)) and three optically forbidden (np_x, np_y, np_z). These present results plus previous calculations on the valence states are used to assign the transitions observed in the ultraviolet WV), electron-impact (EI) and two-photon spectra of this molecule.
Additional Information
This work was supported by grants from the National Science Foundation (CHE73-05132) and the NIH (GM-23971) National Institute of General Medical Sciences. Computing assistance was obtained from the Health Sciences Computing Facility of the University of California, Los Angeles, supported by the National Institutes of Health, Research Resources Grant RR-3.Additional details
- Eprint ID
- 120486
- Resolver ID
- CaltechAUTHORS:20230328-010933106
- NSF
- CHE73-05132
- NIH
- GM-23971
- NIH
- RR-3
- Created
-
2023-03-28Created from EPrint's datestamp field
- Updated
-
2023-03-28Created from EPrint's last_modified field
- Other Numbering System Name
- WAG
- Other Numbering System Identifier
- 0145