III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469608 |
difference | -0.1033399 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469605 |
difference | -0.1033396 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469605 |
difference | -0.1033396 |
Energy (hartrees) | |
---|---|
frozen core | -398.9436209 |
correlated core | -399.0469605 |
difference | -0.1033396 |