III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079966 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079966 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669399 |
difference | -0.0079963 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079966 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669399 |
difference | -0.0079963 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079966 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669399 |
difference | -0.0079963 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669399 |
difference | -0.0079963 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079965 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669399 |
difference | -0.0079963 |
Energy (hartrees) | |
---|---|
frozen core | -93.1589436 |
correlated core | -93.1669402 |
difference | -0.0079966 |