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 MP4/aug-cc-pVDZ

For ()
  Energy (hartrees)
frozen core -225.2096635
correlated core -225.2159945
difference -0.0063310
  Energy (hartrees)
frozen core -225.2084977
correlated core -225.2159945
difference -0.0074968
  Energy (hartrees)
frozen core -225.2096635
correlated core -225.2147982
difference -0.0051347
  Energy (hartrees)
frozen core -225.2084977
correlated core -225.2147982
difference -0.0063005
  Energy (hartrees)
frozen core -225.2096636
correlated core -225.2159945
difference -0.0063309