III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1921.2419755 |
correlated core | -1921.2668287 |
difference | -0.0248532 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2419755 |
correlated core | -1921.2668287 |
difference | -0.0248532 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2419755 |
correlated core | -1921.2668287 |
difference | -0.0248532 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2419755 |
correlated core | -1921.2668287 |
difference | -0.0248532 |