III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128113 |
Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128112 |
Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128112 |
Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128113 |
Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128112 |
Energy (hartrees) | |
---|---|
frozen core | -364.0494096 |
correlated core | -364.0622209 |
difference | -0.0128112 |