III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -483.9125846 |
correlated core | -484.0431950 |
difference | -0.1306103 |
Energy (hartrees) | |
---|---|
frozen core | -483.9125846 |
correlated core | -484.0431950 |
difference | -0.1306104 |
Energy (hartrees) | |
---|---|
frozen core | -483.9125846 |
correlated core | -484.0431950 |
difference | -0.1306103 |
Energy (hartrees) | |
---|---|
frozen core | -483.9125846 |
correlated core | -484.0431950 |
difference | -0.1306104 |