III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.7144998 |
correlated core | -241.7440364 |
difference | -0.0295366 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145012 |
correlated core | -241.7440364 |
difference | -0.0295352 |
Energy (hartrees) | |
---|---|
frozen core | -241.7144998 |
correlated core | -241.7440378 |
difference | -0.0295379 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145012 |
correlated core | -241.7440378 |
difference | -0.0295365 |