III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355987 |
correlated core | -78.8446639 |
difference | -0.0090652 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355985 |
correlated core | -78.8446639 |
difference | -0.0090655 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355985 |
correlated core | -78.8446639 |
difference | -0.0090655 |
Energy (hartrees) | |
---|---|
frozen core | -78.8355985 |
correlated core | -78.8446639 |
difference | -0.0090655 |