III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |
Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |
Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |
Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |
Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |
Energy (hartrees) | |
---|---|
frozen core | -795.2417572 |
correlated core | -795.2628131 |
difference | -0.0210559 |