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-pVTZ

For ()
  Energy (hartrees)
frozen core -26.0307407
correlated core -26.0424706
difference -0.0117299
  Energy (hartrees)
frozen core -26.0307407
correlated core -26.0424706
difference -0.0117299
  Energy (hartrees)
frozen core -26.0307407
correlated core -26.0424706
difference -0.0117299
  Energy (hartrees)
frozen core -26.0307407
correlated core -26.0424706
difference -0.0117299
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842302
difference -0.0120159
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842305
difference -0.0120162
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842305
difference -0.0120162
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842302
difference -0.0120159
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842305
difference -0.0120162
  Energy (hartrees)
frozen core -26.0722143
correlated core -26.0842305
difference -0.0120162
  Energy (hartrees)
frozen core -26.0722142
correlated core -26.0842302
difference -0.0120160
  Energy (hartrees)
frozen core -26.0722142
correlated core -26.0842305
difference -0.0120163
  Energy (hartrees)
frozen core -26.0722142
correlated core -26.0842305
difference -0.0120163
  Energy (hartrees)
frozen core -26.0666825
correlated core -26.0787552
difference -0.0120727