III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3256095 |
correlated core | -291.3351543 |
difference | -0.0095448 |
Energy (hartrees) | |
---|---|
frozen core | -291.3256095 |
correlated core | -291.3351543 |
difference | -0.0095448 |
Energy (hartrees) | |
---|---|
frozen core | -291.3256095 |
correlated core | -291.3351543 |
difference | -0.0095448 |
Energy (hartrees) | |
---|---|
frozen core | -291.3256095 |
correlated core | -291.3351543 |
difference | -0.0095448 |