Fock space multi-reference coupled cluster study of transition moment and oscillator strength |
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Authors: | Maria Barysz |
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Institution: | (1) Institute of Chemistry, Silesian University, Szkolna 9, 40-006 Katowice, Poland |
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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. |
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Keywords: | Coupled cluster method Fock-space formalism Excitation energies Transition moment Oscillator strength |
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