III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.1970517 |
correlated core | -2076.1996417 |
difference | -0.0025900 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1970517 |
correlated core | -2076.1996122 |
difference | -0.0025605 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1970222 |
correlated core | -2076.1996417 |
difference | -0.0026196 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1970222 |
correlated core | -2076.1996122 |
difference | -0.0025900 |