III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -194.6607162 |
correlated core | -194.7535632 |
difference | -0.0928470 |
Energy (hartrees) | |
---|---|
frozen core | -194.6607162 |
correlated core | -194.7535636 |
difference | -0.0928474 |
Energy (hartrees) | |
---|---|
frozen core | -194.6607167 |
correlated core | -194.7535632 |
difference | -0.0928465 |
Energy (hartrees) | |
---|---|
frozen core | -194.6607167 |
correlated core | -194.7535636 |
difference | -0.0928470 |
Energy (hartrees) | |
---|---|
frozen core | -194.6589735 |
correlated core | -194.7535632 |
difference | -0.0945897 |
Energy (hartrees) | |
---|---|
frozen core | -194.6589735 |
correlated core | -194.7535636 |
difference | -0.0945901 |