III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.2764821 |
correlated core | -109.2803197 |
difference | -0.0038376 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764821 |
correlated core | -109.2803194 |
difference | -0.0038373 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764821 |
correlated core | -109.2803193 |
difference | -0.0038372 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803197 |
difference | -0.0038380 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803194 |
difference | -0.0038376 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803193 |
difference | -0.0038376 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803197 |
difference | -0.0038380 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803194 |
difference | -0.0038376 |
Energy (hartrees) | |
---|---|
frozen core | -109.2764817 |
correlated core | -109.2803193 |
difference | -0.0038376 |