III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -596.7650737 |
correlated core | -596.7803559 |
difference | -0.0152822 |
Energy (hartrees) | |
---|---|
frozen core | -596.7650737 |
correlated core | -596.7803559 |
difference | -0.0152822 |
Energy (hartrees) | |
---|---|
frozen core | -596.7945951 |
correlated core | -596.8098800 |
difference | -0.0152849 |
Energy (hartrees) | |
---|---|
frozen core | -596.7945951 |
correlated core | -596.8098800 |
difference | -0.0152849 |