III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5511217 |
correlated core | -79.5571360 |
difference | -0.0060143 |
Energy (hartrees) | |
---|---|
frozen core | -79.5463131 |
correlated core | -79.5523200 |
difference | -0.0060069 |