National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.G.10.a.

Energy differences between frozen core and full core for MP2/cc-pVDZ

For ()
  Energy (hartrees)
frozen core -277.5892078
correlated core -277.5985492
difference -0.0093414
  Energy (hartrees)
frozen core -277.5892078
correlated core -277.5985492
difference -0.0093414
  Energy (hartrees)
frozen core -277.5892078
correlated core -277.5985492
difference -0.0093414
  Energy (hartrees)
frozen core -277.5892078
correlated core -277.5985492
difference -0.0093414
  Energy (hartrees)
frozen core -277.5896400
correlated core -277.5989978
difference -0.0093578
  Energy (hartrees)
frozen core -277.5896400
correlated core -277.5989978
difference -0.0093578
  Energy (hartrees)
frozen core -277.5896400
correlated core -277.5989978
difference -0.0093578
  Energy (hartrees)
frozen core -277.5896400
correlated core -277.5989978
difference -0.0093578