III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.2996331 |
correlated core | -109.3038913 |
difference | -0.0042583 |
Energy (hartrees) | |
---|---|
frozen core | -109.2996331 |
correlated core | -109.3038913 |
difference | -0.0042583 |
Energy (hartrees) | |
---|---|
frozen core | -109.2996331 |
correlated core | -109.3038913 |
difference | -0.0042583 |
Energy (hartrees) | |
---|---|
frozen core | -109.2996331 |
correlated core | -109.3038913 |
difference | -0.0042583 |