III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001222 |
correlated core | -129.8019662 |
difference | -0.1018440 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001221 |
correlated core | -129.8019662 |
difference | -0.1018441 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001221 |
correlated core | -129.8019662 |
difference | -0.1018441 |
Energy (hartrees) | |
---|---|
frozen core | -129.7001221 |
correlated core | -129.8019662 |
difference | -0.1018440 |