Singlet Rydberg states of ethylene
- 15 December 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (12) , 5613-5618
- https://doi.org/10.1063/1.434811
Abstract
A configuration interaction scheme is employed to calculate all n=3 Rydberg states of ethylene derived from the excitation of a π electron. This scheme is designed to account for the small amount of correlation energy of the Ryberg electron and to facilitate calculation of term values from a corresponding calculation on the positive ion. With one exception the results are in agreement with the recent spectral assignments of Mulliken. Both the present results and those of other theoreticians illustrate the difficulties of calculating Rydberg states.Keywords
This publication has 20 references indexed in Scilit:
- SCF methods for excited statesInternational Journal of Quantum Chemistry, 1976
- Integral Hellmann‐Feynman computations on H3ABHn—H2ABHn+1 rearrangementsInternational Journal of Quantum Chemistry, 1976
- All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethyleneChemical Physics, 1975
- Percentage Contour Maps of Electron Densities in AtomsAmerican Journal of Physics, 1972
- Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculationsTheoretical Chemistry Accounts, 1972
- Simplified non-empirical excited state calculationsTheoretical Chemistry Accounts, 1972
- Rydberg States of Diatomic and Polyatomic Molecules Using Model PotentialsThe Journal of Chemical Physics, 1971
- Intensity Distribution in the Energy-Loss Spectrum of EthyleneThe Journal of Chemical Physics, 1966
- ABSORPTION SPECTRA OF ETHYLENE AND ETHYLENE-d4 IN THE VACUUM ULTRAVIOLET. IICanadian Journal of Physics, 1956
- Far Ultraviolet Absorption Spectra of Ethylene and Ethylene-d4The Journal of Chemical Physics, 1955