III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449737 |
difference | -0.0304437 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449737 |
difference | -0.0304437 |
Energy (hartrees) | |
---|---|
frozen core | -241.7144998 |
correlated core | -241.7449737 |
difference | -0.0304738 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449737 |
difference | -0.0304437 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449737 |
difference | -0.0304437 |
Energy (hartrees) | |
---|---|
frozen core | -241.7144998 |
correlated core | -241.7449737 |
difference | -0.0304738 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449687 |
difference | -0.0304387 |
Energy (hartrees) | |
---|---|
frozen core | -241.7145300 |
correlated core | -241.7449687 |
difference | -0.0304387 |
Energy (hartrees) | |
---|---|
frozen core | -241.7144998 |
correlated core | -241.7449687 |
difference | -0.0304689 |