III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.2023125 |
correlated core | -459.2341351 |
difference | -0.0318227 |
Energy (hartrees) | |
---|---|
frozen core | -459.2023125 |
correlated core | -459.2341351 |
difference | -0.0318227 |
Energy (hartrees) | |
---|---|
frozen core | -459.2023124 |
correlated core | -459.2341351 |
difference | -0.0318227 |
Energy (hartrees) | |
---|---|
frozen core | -459.2023124 |
correlated core | -459.2341351 |
difference | -0.0318227 |