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/aug-cc-pVTZ

For ()
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130077
difference -0.0534994
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130077
difference -0.0534994
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130077
difference -0.0534994
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130077
difference -0.0534994
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130076
difference -0.0534993
  Energy (hartrees)
frozen core -498.8595082
correlated core -498.9130076
difference -0.0534993
  Energy (hartrees)
frozen core -498.8594938
correlated core -498.9130073
difference -0.0535135
  Energy (hartrees)
frozen core -498.8594938
correlated core -498.9130071
difference -0.0535134