Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions

The impact of residual electron correlation beyond the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) approximation on positions and widths of electronic resonances is investigated. To establish a method that accomplishes this task in an economical manner, several approaches propo...

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Veröffentlicht in:	The Journal of chemical physics 2018-01, Vol.148 (2), p.024104-024104
1. Verfasser:	Jagau, Thomas-C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Anions Clusters Electron attachment Electron states Electrons
Online-Zugang:	Volltext
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