III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |
Energy (hartrees) | |
---|---|
frozen core | -99.5275741 |
correlated core | -99.5293218 |
difference | -0.0017478 |