III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -341.7033735 |
correlated core | -341.8473901 |
difference | -0.1440165 |
Energy (hartrees) | |
---|---|
frozen core | -341.7033735 |
correlated core | -341.8473900 |
difference | -0.1440165 |
Energy (hartrees) | |
---|---|
frozen core | -341.7033736 |
correlated core | -341.8473901 |
difference | -0.1440165 |
Energy (hartrees) | |
---|---|
frozen core | -341.7033736 |
correlated core | -341.8473900 |
difference | -0.1440164 |
Energy (hartrees) | |
---|---|
frozen core | -341.7033735 |
correlated core | -341.8473901 |
difference | -0.1440166 |
Energy (hartrees) | |
---|---|
frozen core | -341.7033735 |
correlated core | -341.8473900 |
difference | -0.1440165 |