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/aug-cc-pVTZ

For ()
  Energy (hartrees)
frozen core -2648.3700264
correlated core -2648.4350406
difference -0.0650142
  Energy (hartrees)
frozen core -2648.3700264
correlated core -2648.4350406
difference -0.0650142
  Energy (hartrees)
frozen core -2648.3700266
correlated core -2648.4350406
difference -0.0650140
  Energy (hartrees)
frozen core -2648.3700264
correlated core -2648.4350408
difference -0.0650144
  Energy (hartrees)
frozen core -2648.3700264
correlated core -2648.4350408
difference -0.0650144
  Energy (hartrees)
frozen core -2648.3700266
correlated core -2648.4350408
difference -0.0650142