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-pVDZ

For ()
  Energy (hartrees)
frozen core -26.0738648
correlated core -26.0757816
difference -0.0019168
  Energy (hartrees)
frozen core -26.0738648
correlated core -26.0757815
difference -0.0019167
  Energy (hartrees)
frozen core -26.0738650
correlated core -26.0757816
difference -0.0019166
  Energy (hartrees)
frozen core -26.0738650
correlated core -26.0757815
difference -0.0019166
  Energy (hartrees)
frozen core -26.0738650
correlated core -26.0757816
difference -0.0019165
  Energy (hartrees)
frozen core -26.0738650
correlated core -26.0757815
difference -0.0019165
  Energy (hartrees)
frozen core -26.0683796
correlated core -26.0701872
difference -0.0018076