III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.7020190 |
correlated core | -2076.7696384 |
difference | -0.0676194 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696384 |
difference | -0.0676192 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696384 |
difference | -0.0676192 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020190 |
correlated core | -2076.7696394 |
difference | -0.0676205 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696394 |
difference | -0.0676202 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696394 |
difference | -0.0676202 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020190 |
correlated core | -2076.7696394 |
difference | -0.0676205 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696394 |
difference | -0.0676202 |
Energy (hartrees) | |
---|---|
frozen core | -2076.7020192 |
correlated core | -2076.7696394 |
difference | -0.0676202 |