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 CCSD(T)/cc-pCVDZ

For ()
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343143
difference -0.2518338
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343143
difference -0.2518338
  Energy (hartrees)
frozen core -534.5824802
correlated core -534.8343143
difference -0.2518340
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343143
difference -0.2518338
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343143
difference -0.2518338
  Energy (hartrees)
frozen core -534.5824802
correlated core -534.8343143
difference -0.2518340
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343140
difference -0.2518336
  Energy (hartrees)
frozen core -534.5824804
correlated core -534.8343140
difference -0.2518336
  Energy (hartrees)
frozen core -534.5824802
correlated core -534.8343140
difference -0.2518337