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Ab initio calculation of correlation effects for the O 1s core electron binding energy in MgO

✍ Scribed by Uhl, Felix; Staemmler, Volker


Book ID
111986786
Publisher
Institute of Physics
Year
2012
Tongue
English
Weight
333 KB
Volume
24
Category
Article
ISSN
0953-8984

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## Abstract __Ab initio__ calculations on the SCF level and with the inclusion of valence shell electron correlation in the IEPA–PNO (independent electron pair approximation with pair natural orbitals), the PNO–CI (pair‐natural‐orbital configuration interaction) and the CEPA–PNO (coupled electron p