Force correcting atom centred potentials for generalised gradient approximated density functional theory: Approaching hybrid functional accuracy for geometries and harmonic frequencies in small chlorofluorocarbons
Author:
Affiliation:
1. Argonne Leadership Computing Facility, Argonne National Laboratory , Argonne, IL, 60439, USA
2. Department of Chemistry, University of Basel , Basel, Klingelbergstr, 80, 4056, Switzerland
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.793834
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