III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |
Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |
Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |
Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |
Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |
Energy (hartrees) | |
---|---|
frozen core | -4157.4759346 |
correlated core | -4158.2724352 |
difference | -0.7965006 |