III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.1597461 |
correlated core | -225.1653385 |
difference | -0.0055924 |
Energy (hartrees) | |
---|---|
frozen core | -225.1582231 |
correlated core | -225.1653385 |
difference | -0.0071154 |
Energy (hartrees) | |
---|---|
frozen core | -225.1597461 |
correlated core | -225.1637855 |
difference | -0.0040394 |
Energy (hartrees) | |
---|---|
frozen core | -225.1582231 |
correlated core | -225.1637855 |
difference | -0.0055624 |
Energy (hartrees) | |
---|---|
frozen core | -225.1597462 |
correlated core | -225.1653386 |
difference | -0.0055924 |