Back to Search
Start Over
Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems.
- Source :
-
Theoretical Chemistry Accounts: Theory, Computation, & Modeling . Mar2015, Vol. 134 Issue 3, p1-9. 9p. - Publication Year :
- 2015
-
Abstract
- Using a two-site valence configuration interaction model, we reveal the diradical character (y) dependences of the third-harmonic generation (THG) spectra of singlet diradicaloids, which are described by the photon energy-dependent THG second hyperpolarizabilities γ. We particularly examine three- and two-photon resonance peaks associated with the dipole-allowed transition to the first excited state and with the dipole-forbidden transition to the second excited state, respectively. When increasing y, both peaks move to lower-energy region and become close to each other. Although the THG γ spectral intensities show resonance enhancements for any y value, we observe for THG γ the same bell-shape behavior as a function of y, as for the static γ, irrespective of the photon energy. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 1432881X
- Volume :
- 134
- Issue :
- 3
- Database :
- Academic Search Index
- Journal :
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling
- Publication Type :
- Academic Journal
- Accession number :
- 149893646
- Full Text :
- https://doi.org/10.1007/s00214-015-1618-6