III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For (Ethynamine)Energy (hartrees) | |
---|---|
frozen core | -114.4786151 |
correlated core | -114.5044529 |
difference | -0.0258378 |
Energy (hartrees) | |
---|---|
frozen core | -114.4786151 |
correlated core | -114.5044528 |
difference | -0.0258377 |
Energy (hartrees) | |
---|---|
frozen core | -114.4786150 |
correlated core | -114.5044529 |
difference | -0.0258379 |
Energy (hartrees) | |
---|---|
frozen core | -114.4786150 |
correlated core | -114.5044528 |
difference | -0.0258378 |