III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139424 |
Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139424 |
Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139424 |
Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139424 |
Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139423 |
Energy (hartrees) | |
---|---|
frozen core | -474.2997099 |
correlated core | -474.3136523 |
difference | -0.0139423 |