Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 14(24), p. 8329-8343, 2022
DOI: 10.1039/d1cp04695k
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Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum
Journal article published in 2022 by
Torsha Moitra 
,
Alexander C. Paul ,
Piero Decleva ,
Henrik Koch ,
Sonia Coriani
,
Alexander C. Paul ,
Piero Decleva ,
Henrik Koch ,
Sonia Coriani
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Abstract
The computation of Dyson orbitals and corresponding ionization energies has been implemented within the equation of motion coupled cluster singles, doubles and perturbative triples (EOM-CC3) method.