III.G.10.a. |
Energy differences between frozen core and full core for MP4/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -496.1931363 |
correlated core | -496.1986203 |
difference | -0.0054840 |
Energy (hartrees) | |
---|---|
frozen core | -496.1931363 |
correlated core | -496.1986203 |
difference | -0.0054840 |
Energy (hartrees) | |
---|---|
frozen core | -496.1927939 |
correlated core | -496.1982842 |
difference | -0.0054903 |