III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3217552 |
correlated core | -109.3569062 |
difference | -0.0351510 |
Energy (hartrees) | |
---|---|
frozen core | -109.3217552 |
correlated core | -109.3569062 |
difference | -0.0351510 |
Energy (hartrees) | |
---|---|
frozen core | -109.3217552 |
correlated core | -109.3569062 |
difference | -0.0351510 |
Energy (hartrees) | |
---|---|
frozen core | -109.3217552 |
correlated core | -109.3569062 |
difference | -0.0351510 |