FOCK SPACE MULTIREFERENCE COUPLED-CLUSTER STUDY OF TRANSITION-MOMENT AND OSCILLATOR STRENGTH

Authors
Citation
M. Barysz, FOCK SPACE MULTIREFERENCE COUPLED-CLUSTER STUDY OF TRANSITION-MOMENT AND OSCILLATOR STRENGTH, Theoretica Chimica Acta, 90(4), 1995, pp. 257-271
Citations number
52
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
90
Issue
4
Year of publication
1995
Pages
257 - 271
Database
ISI
SICI code
0040-5744(1995)90:4<257:FSMCSO>2.0.ZU;2-T
Abstract
A method of calculating transition moment and oscillator strength with in the framework of the Fock space multi-reference coupled cluster met hod is described. Diagrammatic technique is used to obtain coupled clu ster equations. The general form of equations for the transition momen t between N-electron ground and excited states is obtained. MBPT analy sis of the final equations is done. The excitation energies, dipole tr ansition moments and oscillator strengths for the CH+ molecule are cal culated.