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- W2082718649 abstract "The process of core-hole screening in the carbon monoxide molecule is explained from the single-particle perspective of $Xensuremath{alpha}$ local density functional theory. A cluster model is employed to compare free and chemisorbed CO. It is found that the $ensuremath{pi}$ electrons provide the major component of the screening charge. By the consideration of the extramolecular screening as the difference between the screening in ${mathrm{Cu}}_{n}$ CO clusters and isolated CO, a direct comparison can be made with the single-screening-orbital concept proposed by Lang and Williams." @default.
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- W2082718649 date "1982-06-15" @default.
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- W2082718649 title "Screening of core holes in isolated and chemisorbed carbon monoxide" @default.
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- W2082718649 doi "https://doi.org/10.1103/physrevb.25.7209" @default.
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