Hohlneicher, Georg and Dick, Bernhard (1979) Two-photon spectroscopy of dipole-forbidden transitions. II. Calculation of two-photon cross sections by the CNDO-CI method. Journal of Chemical Physics 70 (12), pp. 5427-5437.
The applicability of a CNDO/S scheme including double excited configurations for the calcn. of excitation energies of larger unsatd. mols. was studied. The same scheme is very useful for the prediction of 2-photon transition probabilities. If the proper expansion is used, the results converge quite well with increasing no. of intermediate states. The inclusion of double excited configurations is ...
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|Additional Information (public):||CAN 91:114576 73-1 Spectra by Absorption, Emission, Reflection, or Magnetic Resonance, and Other Optical Properties|
|Institutions:||Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick|
|Keywords:||Configuration interaction (with CNDO, in calcn. of two-photon dipole-forbidden transition); Molecular orbital (CNDO, in calcn. of two-photon spectra of dipole-forbidden transitions); Energy level transition (dipole-forbidden, calcn. of 2-photon, by CNDO-CI method); Spectrometry (two-photon, of dipole-forbidden transitions); two photon dipole forbidden transition|
|Dewey Decimal Classification:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||No|
|Deposited on:||19 Jan 2009 13:19|
|Last modified:||13 Mar 2014 14:16|