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Calculations of valence electron binding energies using Kohn-Sham theory and transition potentials
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
2000 (English)In: JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, ISSN 0368-2048, Vol. 106, no 1, 51-63 p.Article in journal (Refereed) Published
Abstract [en]

Motivated by the success in computing X-ray photoelectron binding energies and chemical shifts in the core region we apply the Kohn-Sham density functional and transition potential methodology to calculations of binding energies in the valence electron re

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2000. Vol. 106, no 1, 51-63 p.
Keyword [en]
Kohn-Sham theory; binding energies; valence electron region; DENSITY-FUNCTIONAL THEORY; AB-INITIO CALCULATIONS; MANY-BODY CALCULATION; IONIZATION-POTENTIALS; PHOTOELECTRON-SPECTROSCOPY; PHOTOEMISSION SPECTRUM; SULFUR-HEXAFLUORIDE; EXCHANGE-ENERGY; MOLECUL
Identifiers
URN: urn:nbn:se:uu:diva-37063OAI: oai:DiVA.org:uu-37063DiVA: diva2:64962
Note
Addresses: Agren H, Royal Inst Technol, S-10044 Stockholm, Sweden. Royal Inst Technol, S-10044 Stockholm, Sweden. Inst Mol Sci, Okazaki, Aichi 444, Japan. Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden. Univ Stockholm, FYSIKUM, S-11385 Stockholm, SwedenAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2015-05-19

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Plashkevych, O

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