III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7381140 |
correlated core | -535.1267017 |
difference | -0.3885876 |
Energy (hartrees) | |
---|---|
frozen core | -534.7381140 |
correlated core | -535.1267017 |
difference | -0.3885876 |
Energy (hartrees) | |
---|---|
frozen core | -534.7381140 |
correlated core | -535.1267017 |
difference | -0.3885876 |
Energy (hartrees) | |
---|---|
frozen core | -534.7381140 |
correlated core | -535.1267017 |
difference | -0.3885876 |