III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663959 |
difference | -0.0117698 |
Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663959 |
difference | -0.0117698 |
Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663959 |
difference | -0.0117698 |
Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663960 |
difference | -0.0117699 |
Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663960 |
difference | -0.0117699 |
Energy (hartrees) | |
---|---|
frozen core | -312.2546261 |
correlated core | -312.2663960 |
difference | -0.0117698 |