III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.0368067 |
correlated core | -113.0408466 |
difference | -0.0040400 |
Energy (hartrees) | |
---|---|
frozen core | -113.0368067 |
correlated core | -113.0408466 |
difference | -0.0040400 |
Energy (hartrees) | |
---|---|
frozen core | -113.0368067 |
correlated core | -113.0408466 |
difference | -0.0040400 |
Energy (hartrees) | |
---|---|
frozen core | -113.0368067 |
correlated core | -113.0408466 |
difference | -0.0040400 |