III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329950 |
difference | -0.0185359 |
Energy (hartrees) | |
---|---|
frozen core | -40.4144591 |
correlated core | -40.4329951 |
difference | -0.0185360 |