Excitation Energies from Time-Dependent Density Functional Theory for Linear Polyene Oligomers: Butadiene to Decapentaene
Author:
Affiliation:
1. Department of Chemistry, Univeristy of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0024367
Reference53 articles.
1. Linear Polyene Electronic Structure and Spectroscopy
2. Hudson, B. S.; Kohler, B. E.; Shulten, K.Excited States; Lim, E. C., Ed.; Academic: New York; Vol. 6, pp 1−95, 1982.
3. Octatetraene photoisomerization
4. Renormalized configuration interaction method for electron correlation in the excited states of polyenes
5. On the origin of a low-lying forbidden transition in polyenes and related molecules
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