III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6993911 |
correlated core | -534.7480702 |
difference | -0.0486791 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993911 |
correlated core | -534.7480702 |
difference | -0.0486791 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993909 |
correlated core | -534.7480702 |
difference | -0.0486793 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993909 |
correlated core | -534.7480702 |
difference | -0.0486793 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993911 |
correlated core | -534.7480702 |
difference | -0.0486791 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993911 |
correlated core | -534.7480702 |
difference | -0.0486791 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993909 |
correlated core | -534.7480702 |
difference | -0.0486793 |
Energy (hartrees) | |
---|---|
frozen core | -534.6993909 |
correlated core | -534.7480702 |
difference | -0.0486793 |