III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3615765 |
correlated core | -109.3918405 |
difference | -0.0302639 |
Energy (hartrees) | |
---|---|
frozen core | -109.3615765 |
correlated core | -109.3916990 |
difference | -0.0301225 |
Energy (hartrees) | |
---|---|
frozen core | -109.3615482 |
correlated core | -109.3918405 |
difference | -0.0302922 |
Energy (hartrees) | |
---|---|
frozen core | -109.3615482 |
correlated core | -109.3916990 |
difference | -0.0301508 |