III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -243.7093381 |
correlated core | -243.9080497 |
difference | -0.1987116 |
Energy (hartrees) | |
---|---|
frozen core | -243.7093380 |
correlated core | -243.9080497 |
difference | -0.1987117 |
Energy (hartrees) | |
---|---|
frozen core | -243.7093381 |
correlated core | -243.9080495 |
difference | -0.1987114 |
Energy (hartrees) | |
---|---|
frozen core | -243.7093380 |
correlated core | -243.9080495 |
difference | -0.1987115 |