III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7383873 |
correlated core | -498.7570704 |
difference | -0.0186832 |
Energy (hartrees) | |
---|---|
frozen core | -498.7383435 |
correlated core | -498.7570678 |
difference | -0.0187243 |
Energy (hartrees) | |
---|---|
frozen core | -498.7425437 |
correlated core | -498.7570678 |
difference | -0.0145241 |
Energy (hartrees) | |
---|---|
frozen core | -498.7383435 |
correlated core | -498.7570683 |
difference | -0.0187248 |
Energy (hartrees) | |
---|---|
frozen core | -498.7425437 |
correlated core | -498.7570683 |
difference | -0.0145245 |