III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142684 |
difference | -0.0009365 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142684 |
difference | -0.0009365 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142684 |
difference | -0.0009365 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4133319 |
correlated core | -78.4142685 |
difference | -0.0009366 |
Energy (hartrees) | |
---|---|
frozen core | -78.4090026 |
correlated core | -78.4099359 |
difference | -0.0009333 |