III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427409 |
correlated core | -534.5543865 |
difference | -0.0116456 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427409 |
correlated core | -534.5543865 |
difference | -0.0116456 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427408 |
correlated core | -534.5543865 |
difference | -0.0116457 |
Energy (hartrees) | |
---|---|
frozen core | -534.5427409 |
correlated core | -534.5543865 |
difference | -0.0116456 |