III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6794226 |
correlated core | -79.7185421 |
difference | -0.0391196 |
Energy (hartrees) | |
---|---|
frozen core | -79.6794229 |
correlated core | -79.7185421 |
difference | -0.0391192 |
Energy (hartrees) | |
---|---|
frozen core | -79.6794226 |
correlated core | -79.7185422 |
difference | -0.0391196 |
Energy (hartrees) | |
---|---|
frozen core | -79.6794229 |
correlated core | -79.7185422 |
difference | -0.0391193 |
Energy (hartrees) | |
---|---|
frozen core | -79.6749861 |
correlated core | -79.7143447 |
difference | -0.0393586 |