III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6098112 |
correlated core | -79.6454549 |
difference | -0.0356437 |
Energy (hartrees) | |
---|---|
frozen core | -79.6098112 |
correlated core | -79.6454549 |
difference | -0.0356437 |
Energy (hartrees) | |
---|---|
frozen core | -79.6098112 |
correlated core | -79.6454549 |
difference | -0.0356437 |
Energy (hartrees) | |
---|---|
frozen core | -79.6098112 |
correlated core | -79.6454549 |
difference | -0.0356437 |
Energy (hartrees) | |
---|---|
frozen core | -79.6049541 |
correlated core | -79.6405988 |
difference | -0.0356447 |