@article{98e493ccfe724ffdb523da9075fa6c6c,
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",
note = "Funding Information: This article is dedicated to Dr Rodney J. Bartlett on the occasion of his 60th birthday. The authors greatly respect Dr Bartlett{\textquoteright}s immense contributions to quantum chemistry. One of the authors (JDW) has enjoyed a long, fruitful, and friendly association with Dr Bartlett, and he considers Dr Bartlett to be one of his most influential teachers. The techniques and software developed by Dr Bartlett and his group were essential to the study presented in this paper. Computing resources were provided by the Army High Performance Computing Research Center under the auspices of the Department of the Army, Army Research Laboratory agreement number DAAH04-95-2-0003/contract number DAAH04-95-C-0008. The content of this article does not necessarily reflect the position or the policy of the government, and no official endorsement should be inferred. JDW was supported in part by the National Science Foundation (HRD0318519 and NSF300423-190200-21000) and the National Institutes of Health (S06 GM08047). The authors thank Dr Meng-Sheng Liao for preparing figure 1.",
year = "2005",
month = aug,
day = "10",
doi = "10.1080/00268970500084117",
language = "English",
volume = "103",
pages = "2223--2227",
journal = "Molecular Physics",
issn = "0026-8976",
publisher = "Taylor and Francis Ltd.",
number = "15-16",
}