III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.4373188 |
correlated core | -1998.5963531 |
difference | -0.1590342 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4373188 |
correlated core | -1998.5963531 |
difference | -0.1590342 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4373188 |
correlated core | -1998.5963531 |
difference | -0.1590343 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4373188 |
correlated core | -1998.5963531 |
difference | -0.1590342 |