III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340058 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340058 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340057 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340058 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340059 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687304 |
difference | -0.0340058 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687305 |
difference | -0.0340058 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687305 |
difference | -0.0340059 |
Energy (hartrees) | |
---|---|
frozen core | -460.3347246 |
correlated core | -460.3687305 |
difference | -0.0340058 |