III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3335108 |
correlated core | -109.3933398 |
difference | -0.0598290 |
Energy (hartrees) | |
---|---|
frozen core | -109.3335108 |
correlated core | -109.3933399 |
difference | -0.0598291 |
Energy (hartrees) | |
---|---|
frozen core | -109.3335108 |
correlated core | -109.3933398 |
difference | -0.0598291 |
Energy (hartrees) | |
---|---|
frozen core | -109.3335108 |
correlated core | -109.3933399 |
difference | -0.0598292 |