III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -350.9452752 |
correlated core | -350.9565818 |
difference | -0.0113066 |
Energy (hartrees) | |
---|---|
frozen core | -350.9452795 |
correlated core | -350.9565818 |
difference | -0.0113023 |
Energy (hartrees) | |
---|---|
frozen core | -350.9427383 |
correlated core | -350.9544566 |
difference | -0.0117183 |
Energy (hartrees) | |
---|---|
frozen core | -350.9427383 |
correlated core | -350.9544566 |
difference | -0.0117183 |