III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366114 |
difference | -0.0098344 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366114 |
difference | -0.0098344 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366114 |
difference | -0.0098344 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366114 |
difference | -0.0098344 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |
Energy (hartrees) | |
---|---|
frozen core | -353.2267770 |
correlated core | -353.2366115 |
difference | -0.0098345 |