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Two-photon spectroscopy of dipole-forbidden transitions. II. Calculation of two-photon cross sections by the CNDO-CI method

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.

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Abstract

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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Item Type:Article
Date:1979
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 (Light and Matter) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
1979:514576Other
10.1063/1.437454DOI
Classification:
NotationType
33.20.FbPACS
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
Subjects:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:No
Owner: Universitätsbibliothek Regensburg
Deposited On:19 Jan 2009 13:19
Last Modified:13 Mar 2014 14:16
Item ID:5552
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