III.G.10.a. |
Energy differences between frozen core and full core for CCSD/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -75.7155509 |
correlated core | -75.7172001 |
difference | -0.0016491 |
Energy (hartrees) | |
---|---|
frozen core | -75.7155509 |
correlated core | -75.7071909 |
difference | 0.0083601 |
Energy (hartrees) | |
---|---|
frozen core | -75.7055598 |
correlated core | -75.7172001 |
difference | -0.0116403 |
Energy (hartrees) | |
---|---|
frozen core | -75.7055598 |
correlated core | -75.7071909 |
difference | -0.0016311 |