III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1193.1446360 |
correlated core | -1193.2583898 |
difference | -0.1137538 |
Energy (hartrees) | |
---|---|
frozen core | -1193.1446360 |
correlated core | -1193.2583898 |
difference | -0.1137538 |
Energy (hartrees) | |
---|---|
frozen core | -1193.1348808 |
correlated core | -1193.2490167 |
difference | -0.1141359 |