LCAO density functional calculations of core binding energy shifts of large molecules

Mauro Stener; A. Lisini; Piero Decleva

doi:10.1016/0368-2048(94)02202-b

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LCAO density functional calculations of core binding energy shifts of large molecules

Mauro Stener A. Lisini Piero Decleva

Year: 1994 Journal: Journal of Electron Spectroscopy and Related Phenomena Vol: 69 (3)Pages: 197-206 Publisher: Elsevier BV

DOI: 10.1016/0368-2048(94)02202-b

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Keywords:

Linear combination of atomic orbitals Photoionization Chemistry Molecule Binding energy X-ray photoelectron spectroscopy Density functional theory Computational chemistry Basis set Atomic physics Ionization Physics Nuclear magnetic resonance Organic chemistry

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Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Photochemistry and Electron Transfer Studies

Physical Sciences → Chemistry → Physical and Theoretical Chemistry

Atmospheric chemistry and aerosols

Physical Sciences → Earth and Planetary Sciences → Atmospheric Science

LCAO density functional calculations of core binding energy shifts of large molecules

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