III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5758731 |
correlated core | -534.6360316 |
difference | -0.0601586 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685202 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5758731 |
correlated core | -534.6360316 |
difference | -0.0601586 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685202 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5758731 |
correlated core | -534.6360316 |
difference | -0.0601585 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685203 |
correlated core | -534.6360316 |
difference | -0.0675114 |
Energy (hartrees) | |
---|---|
frozen core | -534.5685202 |
correlated core | -534.6360316 |
difference | -0.0675114 |