return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Energy > Correlation > Full vs Frozen core energies

Energy differences between frozen core and full core for MP2/6-31G

19 06 19 13 52
For ()
  Energy (hartrees)
frozen core -192.2085233
correlated core -192.2135736
difference -0.0050503
  Energy (hartrees)
frozen core -192.2086839
correlated core -192.2137354
difference -0.0050514