III.G.10.a. |
Energy differences between frozen core and full core for CCSD/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -108.5248938 |
correlated core | -108.5280033 |
difference | -0.0031095 |
Energy (hartrees) | |
---|---|
frozen core | -108.5248938 |
correlated core | -108.5269202 |
difference | -0.0020264 |
Energy (hartrees) | |
---|---|
frozen core | -108.5237985 |
correlated core | -108.5280033 |
difference | -0.0042047 |
Energy (hartrees) | |
---|---|
frozen core | -108.5237985 |
correlated core | -108.5269202 |
difference | -0.0031217 |