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-pCVDZ

For ()
  Energy (hartrees)
frozen core -460.4608964
correlated core -460.6760087
difference -0.2151124
  Energy (hartrees)
frozen core -460.4608962
correlated core -460.6760087
difference -0.2151125
  Energy (hartrees)
frozen core -460.4608964
correlated core -460.6760085
difference -0.2151121
  Energy (hartrees)
frozen core -460.4608962
correlated core -460.6760085
difference -0.2151123