Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Si 2p core-level shifts in small molecules: A first principles study
 
research article

Si 2p core-level shifts in small molecules: A first principles study

Pasquarello, Alfredo  
•
Hybertsen, M. S.
•
Car, R.
1996
Physica Scripta

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.

  • Details
  • Metrics
Type
research article
DOI
10.1088/0031-8949/1996/T66/018
Author(s)
Pasquarello, Alfredo  
Hybertsen, M. S.
Car, R.
Date Issued

1996

Published in
Physica Scripta
Volume

T66

Start page

118

End page

120

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43378
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés