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Fock space multi-reference coupled cluster study of transition moment and oscillator strength
Authors:Maria Barysz
Institution:(1) Institute of Chemistry, Silesian University, Szkolna 9, 40-006 Katowice, Poland
Abstract:Summary A method of calculating transition moment and oscillator strength within the framework of the Fock space multi-reference coupled cluster method is described. Diagrammatic technique is used to obtain coupled cluster equations. The general form of equations for the transition moment betweenN-electron ground and excited states is obtained. MBPT analysis of the final equations is done. The excitation energies, dipole transition moments and oscillator strengths for theCH + molecule are calculated.
Keywords:Coupled cluster method  Fock-space formalism  Excitation energies  Transition moment  Oscillator strength
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