III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -151.4357274 |
correlated core | -151.4393905 |
difference | -0.0036631 |
Energy (hartrees) | |
---|---|
frozen core | -151.4357273 |
correlated core | -151.4393905 |
difference | -0.0036632 |
Energy (hartrees) | |
---|---|
frozen core | -151.4357275 |
correlated core | -151.4393905 |
difference | -0.0036631 |
Energy (hartrees) | |
---|---|
frozen core | -151.4357274 |
correlated core | -151.4393905 |
difference | -0.0036631 |
Energy (hartrees) | |
---|---|
frozen core | -151.4357273 |
correlated core | -151.4393905 |
difference | -0.0036632 |
Energy (hartrees) | |
---|---|
frozen core | -151.4357275 |
correlated core | -151.4393905 |
difference | -0.0036631 |