III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.9418318 |
correlated core | -2078.0087602 |
difference | -0.0669284 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9418318 |
correlated core | -2078.0087602 |
difference | -0.0669284 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9418318 |
correlated core | -2078.0087602 |
difference | -0.0669283 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9418318 |
correlated core | -2078.0087602 |
difference | -0.0669284 |