A coupled-cluster analysis of the photoelectron spectrum of FeCl 3-

John D. Watts; Michel Dupuis

doi:10.1080/00268970500084117

A coupled-cluster analysis of the photoelectron spectrum of FeCl ₃^-

John D. Watts, Michel Dupuis

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article

2 Citations (Scopus)

Abstract

Coupled-cluster calculations including effects of connected triple excitations have been performed on the ground state of FeCl₃ ^- and several electronic states of FeCl₃. The vertical electron detachment energies closely correspond to the band energies of the photoelectron spectrum recently obtained by Yang et al. [Yang et al. J. chem. Phys., 119, 8311 (2003).], and thus provide a possible assignment of the spectrum.

Original language	English
Pages (from-to)	2223-2227
Number of pages	5
Journal	Molecular Physics
Volume	103
Issue number	15-16
DOIs	https://doi.org/10.1080/00268970500084117
Publication status	Published - Aug 10 2005

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268970500084117

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Watts, J. D., & Dupuis, M. (2005). A coupled-cluster analysis of the photoelectron spectrum of FeCl ₃^-. Molecular Physics, 103(15-16), 2223-2227. https://doi.org/10.1080/00268970500084117

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