English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

A treatment of one- or two-photon fluorescence excitation spectra is described using the vibration–rotation coupling of zeroth order states in the excited electronic state and nonadiabatic coupling to the ground state. Using perturbation theory, experimental harmonic frequencies, an anharmonic force field, and various theoretical Coriolis coupling constants, a quasistationary molecular eigenstate in an excited electronic state S1 is first calculated. The S1 eigenstate is then coupled via the nonadiabatic nuclear kinetic energy operator (internal conversion) to rovibronic states in the ground state manifold, the latter states approximated in a simple manner. A search algorithm is used to select the S1 dark states and the S0 states. Both the perturbation theory coefficient and the Franck–Condon factors are employed in the evaluation function used in the search. The results are applied in part II to the channel three problem in benzene.

Theory of fluorescence excitation spectra using anharmonic-coriolis coupling in S1 and internal conversion to S. I. General formalism