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Title: On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom
  2. Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R 2LS, United Kingdom
  3. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
  4. Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom, Argonne National Laboratory, 9700 S Cass Avenue, Argonne, Illinois 60439, USA
Publication Date:
OSTI Identifier:
1228252
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 19; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English