III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457922 |
correlated core | -79.5561924 |
difference | -0.0104003 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457922 |
correlated core | -79.5561924 |
difference | -0.0104003 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457923 |
correlated core | -79.5561924 |
difference | -0.0104001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5457922 |
correlated core | -79.5561924 |
difference | -0.0104002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5407572 |
correlated core | -79.5511614 |
difference | -0.0104042 |