III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.4079451 |
correlated core | -77.4380061 |
difference | -0.0300610 |
Energy (hartrees) | |
---|---|
frozen core | -77.4079451 |
correlated core | -77.4380061 |
difference | -0.0300610 |
Energy (hartrees) | |
---|---|
frozen core | -77.4079451 |
correlated core | -77.4380061 |
difference | -0.0300610 |
Energy (hartrees) | |
---|---|
frozen core | -77.4079451 |
correlated core | -77.4380061 |
difference | -0.0300610 |
Energy (hartrees) | |
---|---|
frozen core | -77.3947016 |
correlated core | -77.4245271 |
difference | -0.0298255 |
Energy (hartrees) | |
---|---|
frozen core | -77.3947016 |
correlated core | -77.4245271 |
difference | -0.0298255 |
Energy (hartrees) | |
---|---|
frozen core | -77.3947015 |
correlated core | -77.4245271 |
difference | -0.0298256 |
Energy (hartrees) | |
---|---|
frozen core | -77.3947015 |
correlated core | -77.4245271 |
difference | -0.0298256 |