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 MP3/TZVP

For ()
  Energy (hartrees)
frozen core -225.2062913
correlated core -225.2585538
difference -0.0522624
  Energy (hartrees)
frozen core -225.1997701
correlated core -225.2585538
difference -0.0587837
  Energy (hartrees)
frozen core -225.2062913
correlated core -225.2520257
difference -0.0457344
  Energy (hartrees)
frozen core -225.1997701
correlated core -225.2520257
difference -0.0522556
  Energy (hartrees)
frozen core -225.2062910
correlated core -225.2585534
difference -0.0522625