III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -37.7463748 |
correlated core | -37.7498847 |
difference | -0.0035099 |
Energy (hartrees) | |
---|---|
frozen core | -37.7463748 |
correlated core | -37.7498847 |
difference | -0.0035099 |
Energy (hartrees) | |
---|---|
frozen core | -37.7463635 |
correlated core | -37.7498847 |
difference | -0.0035212 |
Energy (hartrees) | |
---|---|
frozen core | -37.7463748 |
correlated core | -37.7498847 |
difference | -0.0035099 |
Energy (hartrees) | |
---|---|
frozen core | -37.7463748 |
correlated core | -37.7498847 |
difference | -0.0035099 |
Energy (hartrees) | |
---|---|
frozen core | -37.7463635 |
correlated core | -37.7498847 |
difference | -0.0035212 |