III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4947420 |
correlated core | -79.5039697 |
difference | -0.0092277 |
Energy (hartrees) | |
---|---|
frozen core | -79.4897306 |
correlated core | -79.4989564 |
difference | -0.0092258 |
Energy (hartrees) | |
---|---|
frozen core | -79.4897306 |
correlated core | -79.4989564 |
difference | -0.0092258 |