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 -76.3336701
correlated core -76.3487663
difference -0.0150962
  Energy (hartrees)
frozen core -76.3336701
correlated core -76.3487660
difference -0.0150959
  Energy (hartrees)
frozen core -76.3336701
correlated core -76.3487663
difference -0.0150962
  Energy (hartrees)
frozen core -76.3336699
correlated core -76.3487663
difference -0.0150963
  Energy (hartrees)
frozen core -76.3336699
correlated core -76.3487660
difference -0.0150961
  Energy (hartrees)
frozen core -76.3336699
correlated core -76.3487663
difference -0.0150964
  Energy (hartrees)
frozen core -76.3336701
correlated core -76.3487663
difference -0.0150961
  Energy (hartrees)
frozen core -76.3336701
correlated core -76.3487660
difference -0.0150959
  Energy (hartrees)
frozen core -76.3336701
correlated core -76.3487663
difference -0.0150962