III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -98.8834981 |
correlated core | -98.8849911 |
difference | -0.0014930 |
Energy (hartrees) | |
---|---|
frozen core | -98.8834981 |
correlated core | -98.8849911 |
difference | -0.0014929 |
Energy (hartrees) | |
---|---|
frozen core | -98.8834981 |
correlated core | -98.8849911 |
difference | -0.0014930 |
Energy (hartrees) | |
---|---|
frozen core | -98.8834981 |
correlated core | -98.8849911 |
difference | -0.0014929 |