III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3553609 |
correlated core | -109.3810563 |
difference | -0.0256954 |
Energy (hartrees) | |
---|---|
frozen core | -109.3553609 |
correlated core | -109.3809443 |
difference | -0.0255834 |
Energy (hartrees) | |
---|---|
frozen core | -109.3553318 |
correlated core | -109.3810563 |
difference | -0.0257244 |
Energy (hartrees) | |
---|---|
frozen core | -109.3553318 |
correlated core | -109.3809443 |
difference | -0.0256125 |