III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -98.9588058 |
correlated core | -98.9756112 |
difference | -0.0168054 |
Energy (hartrees) | |
---|---|
frozen core | -98.9588058 |
correlated core | -98.9756111 |
difference | -0.0168054 |
Energy (hartrees) | |
---|---|
frozen core | -98.9588058 |
correlated core | -98.9756112 |
difference | -0.0168054 |
Energy (hartrees) | |
---|---|
frozen core | -98.9588058 |
correlated core | -98.9756111 |
difference | -0.0168054 |