III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -558.8841254 |
correlated core | -558.9301539 |
difference | -0.0460285 |
Energy (hartrees) | |
---|---|
frozen core | -558.8841254 |
correlated core | -558.9301539 |
difference | -0.0460285 |
Energy (hartrees) | |
---|---|
frozen core | -558.8841254 |
correlated core | -558.9301539 |
difference | -0.0460285 |
Energy (hartrees) | |
---|---|
frozen core | -558.8841254 |
correlated core | -558.9301539 |
difference | -0.0460285 |