III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -277.5346491 |
correlated core | -277.5481229 |
difference | -0.0134738 |
Energy (hartrees) | |
---|---|
frozen core | -277.5346491 |
correlated core | -277.5481229 |
difference | -0.0134738 |
Energy (hartrees) | |
---|---|
frozen core | -277.5347515 |
correlated core | -277.5482846 |
difference | -0.0135332 |
Energy (hartrees) | |
---|---|
frozen core | -277.5347515 |
correlated core | -277.5482846 |
difference | -0.0135332 |
Energy (hartrees) | |
---|---|
frozen core | -277.5347515 |
correlated core | -277.5482848 |
difference | -0.0135333 |
Energy (hartrees) | |
---|---|
frozen core | -277.5347515 |
correlated core | -277.5482848 |
difference | -0.0135333 |