CaltechAUTHORS
Published December 1, 1980 | Version public
Journal Article Metadata-only

The Rydberg states of trans-1, 3-5-hexatriene from ab initio and configuration interaction calculations

Creators

  • 1. ROR icon Federal University of Rio de Janeiro
  • 2. ROR icon California Institute of Technology

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

Identifiers

Eprint ID
120486
Resolver ID
CaltechAUTHORS:20230328-010933106

Funding

NSF
CHE73-05132
NIH
GM-23971
NIH
RR-3

Dates

Created
2023-03-28
Created from EPrint's datestamp field
Updated
2023-03-28
Created from EPrint's last_modified field

Caltech Custom Metadata

Other Numbering System Name
WAG
Other Numbering System Identifier
0145