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/aug-cc-pVTZ

For ()
  Energy (hartrees)
frozen core -579.1466602
correlated core -579.2740518
difference -0.1273917
  Energy (hartrees)
frozen core -579.1789945
correlated core -579.2988922
difference -0.1198977
  Energy (hartrees)
frozen core -579.2119920
correlated core -579.3351189
difference -0.1231269
  Energy (hartrees)
frozen core -579.1937687
correlated core -579.3165152
difference -0.1227466