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research article
Si 2p core-level shifts in small molecules: A first principles study
1996
Si 2p con-level shifts for a series of molecules are calculated within the local density approximation to density functional theory. Using a pseudopotential approach, the shifts are calculated both in the initial-state approximation and including core-hole relaxation effects. Overall, calculated Si 2p shifts show good agreement with experiment.
Type
research article
Authors
Publication date
1996
Published in
Volume
T66
Start page
118
End page
120
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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