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)/aug-cc-pVQZ

For ()
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454314
difference -0.0308805
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454314
difference -0.0308805
  Energy (hartrees)
frozen core -241.7145207
correlated core -241.7454314
difference -0.0309107
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454314
difference -0.0308805
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454314
difference -0.0308805
  Energy (hartrees)
frozen core -241.7145207
correlated core -241.7454314
difference -0.0309107
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454265
difference -0.0308756
  Energy (hartrees)
frozen core -241.7145509
correlated core -241.7454265
difference -0.0308756
  Energy (hartrees)
frozen core -241.7145207
correlated core -241.7454265
difference -0.0309057