III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -100.1095668 |
correlated core | -100.1199304 |
difference | -0.0103636 |
Energy (hartrees) | |
---|---|
frozen core | -100.1119724 |
correlated core | -100.1220668 |
difference | -0.0100944 |
Energy (hartrees) | |
---|---|
frozen core | -100.1128906 |
correlated core | -100.1241931 |
difference | -0.0113025 |