III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -353.6749541 |
correlated core | -353.7329202 |
difference | -0.0579661 |
Energy (hartrees) | |
---|---|
frozen core | -353.6749541 |
correlated core | -353.7329203 |
difference | -0.0579662 |
Energy (hartrees) | |
---|---|
frozen core | -353.6749542 |
correlated core | -353.7329202 |
difference | -0.0579660 |
Energy (hartrees) | |
---|---|
frozen core | -353.6749542 |
correlated core | -353.7329203 |
difference | -0.0579661 |