III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1996.2555821 |
correlated core | -1996.3003936 |
difference | -0.0448115 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2555820 |
correlated core | -1996.3003936 |
difference | -0.0448116 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2555821 |
correlated core | -1996.3003935 |
difference | -0.0448114 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2555820 |
correlated core | -1996.3003935 |
difference | -0.0448115 |