III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -55.6638776 |
correlated core | -55.6655905 |
difference | -0.0017129 |
Energy (hartrees) | |
---|---|
frozen core | -55.6638776 |
correlated core | -55.6655905 |
difference | -0.0017129 |
Energy (hartrees) | |
---|---|
frozen core | -55.6638776 |
correlated core | -55.6655905 |
difference | -0.0017129 |
Energy (hartrees) | |
---|---|
frozen core | -55.6638776 |
correlated core | -55.6655905 |
difference | -0.0017129 |