Accurate core-electron binding energy shifts from density functional theory

Yuji Takahata; Alberto Marques

doi:10.1016/j.elspec.2009.03.018

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Accurate core-electron binding energy shifts from density functional theory

Yuji Takahata Alberto Marques

Year: 2009 Journal: Journal of Electron Spectroscopy and Related Phenomena Vol: 178-179 Pages: 80-87 Publisher: Elsevier BV

DOI: 10.1016/j.elspec.2009.03.018

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Keywords:

Substituent Chemistry Density functional theory Binding energy Computational chemistry Hydrogen bond Core (optical fiber) Electron Chemical physics Atomic physics Molecule Stereochemistry Materials science Organic chemistry Physics Quantum mechanics

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Accurate core-electron binding energy shifts from density functional theory

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