III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -1900.6424950 |
correlated core | -1900.6430486 |
difference | -0.0005535 |
Energy (hartrees) | |
---|---|
frozen core | -1900.6424950 |
correlated core | -1900.6430486 |
difference | -0.0005535 |
Energy (hartrees) | |
---|---|
frozen core | -1900.6424950 |
correlated core | -1900.6430486 |
difference | -0.0005535 |
Energy (hartrees) | |
---|---|
frozen core | -1900.6424950 |
correlated core | -1900.6430486 |
difference | -0.0005535 |