III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828021 |
difference | -0.0071413 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828021 |
difference | -0.0071413 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756606 |
correlated core | -534.5828021 |
difference | -0.0071416 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828021 |
difference | -0.0071413 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828021 |
difference | -0.0071413 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756606 |
correlated core | -534.5828021 |
difference | -0.0071416 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828019 |
difference | -0.0071411 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756608 |
correlated core | -534.5828019 |
difference | -0.0071411 |
Energy (hartrees) | |
---|---|
frozen core | -534.5756606 |
correlated core | -534.5828019 |
difference | -0.0071413 |