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

Department of Chemical and Biological Engineering

Jackson State University

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

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
State	Published - Aug 10 2005

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10.1080/00268970500084117

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title = "A coupled-cluster analysis of the photoelectron spectrum of FeCl 3-",

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.",

author = "Watts, \{John D.\} and Michel Dupuis",

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AU - Watts, John D.

AU - Dupuis, Michel

PY - 2005/8/10

Y1 - 2005/8/10

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/27844434328

U2 - 10.1080/00268970500084117

DO - 10.1080/00268970500084117

M3 - Article

AN - SCOPUS:27844434328

SN - 0026-8976

VL - 103

SP - 2223

EP - 2227

JO - Molecular Physics

JF - Molecular Physics

IS - 15-16

ER -

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

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