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 QCISD(T)/cc-pVTZ

19 06 19 13 52
For SiF (silicon monofluoride)
  Energy (hartrees)
frozen core -399.2150675
correlated core -399.2519367
difference -0.0368692