III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704666 |
difference | -0.1006375 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704666 |
difference | -0.1006375 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704666 |
difference | -0.1006376 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704666 |
difference | -0.1006376 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704666 |
difference | -0.1006375 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704666 |
difference | -0.1006375 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704666 |
difference | -0.1006376 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704666 |
difference | -0.1006376 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704662 |
difference | -0.1006371 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704662 |
difference | -0.1006371 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704662 |
difference | -0.1006372 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704662 |
difference | -0.1006372 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704662 |
difference | -0.1006371 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698291 |
correlated core | -92.6704662 |
difference | -0.1006371 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704662 |
difference | -0.1006372 |
Energy (hartrees) | |
---|---|
frozen core | -92.5698290 |
correlated core | -92.6704662 |
difference | -0.1006372 |