III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -163.2459598 |
correlated core | -163.2512873 |
difference | -0.0053276 |
Energy (hartrees) | |
---|---|
frozen core | -163.2459598 |
correlated core | -163.2512870 |
difference | -0.0053272 |
Energy (hartrees) | |
---|---|
frozen core | -163.2459594 |
correlated core | -163.2512873 |
difference | -0.0053279 |
Energy (hartrees) | |
---|---|
frozen core | -163.2459594 |
correlated core | -163.2512870 |
difference | -0.0053276 |