III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884131 |
correlated core | -398.7986973 |
difference | -0.0102842 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884131 |
correlated core | -398.7986973 |
difference | -0.0102842 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986973 |
difference | -0.0102840 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986975 |
difference | -0.0102842 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884131 |
correlated core | -398.7986975 |
difference | -0.0102843 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986975 |
difference | -0.0102842 |
Energy (hartrees) | |
---|---|
frozen core | -398.7884133 |
correlated core | -398.7986975 |
difference | -0.0102842 |