III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -4157.7923675 |
correlated core | -4158.0340732 |
difference | -0.2417057 |
Energy (hartrees) | |
---|---|
frozen core | -4157.7923675 |
correlated core | -4158.0340732 |
difference | -0.2417057 |
Energy (hartrees) | |
---|---|
frozen core | -4157.7923675 |
correlated core | -4158.0340732 |
difference | -0.2417057 |
Energy (hartrees) | |
---|---|
frozen core | -4157.7923675 |
correlated core | -4158.0340732 |
difference | -0.2417057 |