III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561994 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561994 |
Energy (hartrees) | |
---|---|
frozen core | -188.1991300 |
correlated core | -188.2553295 |
difference | -0.0561995 |