III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -129.6320847 |
correlated core | -129.6659760 |
difference | -0.0338913 |
Energy (hartrees) | |
---|---|
frozen core | -129.6320847 |
correlated core | -129.6659760 |
difference | -0.0338913 |
Energy (hartrees) | |
---|---|
frozen core | -129.6320847 |
correlated core | -129.6659760 |
difference | -0.0338913 |
Energy (hartrees) | |
---|---|
frozen core | -129.6320847 |
correlated core | -129.6659760 |
difference | -0.0338913 |