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 MP2/cc-pVQZ

For ()
  Energy (hartrees)
frozen core -79.6574621
correlated core -79.7144617
difference -0.0569997
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144617
difference -0.0570001
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144617
difference -0.0570000
  Energy (hartrees)
frozen core -79.6574621
correlated core -79.7144615
difference -0.0569995
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144615
difference -0.0569999
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144615
difference -0.0569998
  Energy (hartrees)
frozen core -79.6574621
correlated core -79.7144616
difference -0.0569995
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144616
difference -0.0569999
  Energy (hartrees)
frozen core -79.6574617
correlated core -79.7144616
difference -0.0569999
  Energy (hartrees)
frozen core -79.6529445
correlated core -79.7099226
difference -0.0569781