III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625301 |
difference | -0.0993041 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625301 |
difference | -0.0993041 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625300 |
difference | -0.0993040 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625301 |
difference | -0.0993041 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625301 |
difference | -0.0993041 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632260 |
correlated core | -109.4625300 |
difference | -0.0993040 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632259 |
correlated core | -109.4625301 |
difference | -0.0993042 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632259 |
correlated core | -109.4625301 |
difference | -0.0993042 |
Energy (hartrees) | |
---|---|
frozen core | -109.3632259 |
correlated core | -109.4625300 |
difference | -0.0993041 |