III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436152 |
difference | -0.0654051 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436152 |
difference | -0.0654051 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782102 |
correlated core | -4795.4436152 |
difference | -0.0654050 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436152 |
difference | -0.0654051 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436152 |
difference | -0.0654051 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782102 |
correlated core | -4795.4436152 |
difference | -0.0654050 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436153 |
difference | -0.0654052 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782101 |
correlated core | -4795.4436153 |
difference | -0.0654052 |
Energy (hartrees) | |
---|---|
frozen core | -4795.3782102 |
correlated core | -4795.4436153 |
difference | -0.0654051 |