III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2287691 |
correlated core | -76.2311784 |
difference | -0.0024093 |
Energy (hartrees) | |
---|---|
frozen core | -76.2287691 |
correlated core | -76.2090372 |
difference | 0.0197318 |
Energy (hartrees) | |
---|---|
frozen core | -76.2256501 |
correlated core | -76.2311784 |
difference | -0.0055283 |
Energy (hartrees) | |
---|---|
frozen core | -76.2256501 |
correlated core | -76.2090372 |
difference | 0.0166129 |
Energy (hartrees) | |
---|---|
frozen core | -76.2287692 |
correlated core | -76.2311784 |
difference | -0.0024093 |
Energy (hartrees) | |
---|---|
frozen core | -76.2287692 |
correlated core | -76.2090372 |
difference | 0.0197319 |