III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.6954516 |
correlated core | -2076.7565178 |
difference | -0.0610662 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565178 |
difference | -0.0610660 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565178 |
difference | -0.0610660 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954516 |
correlated core | -2076.7565182 |
difference | -0.0610665 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565182 |
difference | -0.0610664 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565182 |
difference | -0.0610664 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954516 |
correlated core | -2076.7565179 |
difference | -0.0610663 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565179 |
difference | -0.0610662 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6954517 |
correlated core | -2076.7565179 |
difference | -0.0610662 |