III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -39.6027259 |
correlated core | -39.6070092 |
difference | -0.0042834 |
Energy (hartrees) | |
---|---|
frozen core | -39.6027259 |
correlated core | -39.6070092 |
difference | -0.0042834 |
Energy (hartrees) | |
---|---|
frozen core | -39.6027259 |
correlated core | -39.6070092 |
difference | -0.0042834 |
Energy (hartrees) | |
---|---|
frozen core | -39.6027259 |
correlated core | -39.6070092 |
difference | -0.0042834 |
Energy (hartrees) | |
---|---|
frozen core | -39.6027258 |
correlated core | -39.6070092 |
difference | -0.0042834 |
Energy (hartrees) | |
---|---|
frozen core | -39.6027258 |
correlated core | -39.6070092 |
difference | -0.0042834 |