III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005341 |
difference | -0.0086725 |
Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005354 |
difference | -0.0086738 |
Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005341 |
difference | -0.0086725 |
Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005354 |
difference | -0.0086738 |
Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005341 |
difference | -0.0086725 |
Energy (hartrees) | |
---|---|
frozen core | -241.6918616 |
correlated core | -241.7005354 |
difference | -0.0086738 |