Electron Correlation
& Configuration Interaction (CI)
Do electrons in a molecule really move independently?
Answer:
No
They repel each other and try to
avoid each other all the time.
What Hartree–Fock (HF) Assumes
In Hartree–Fock
(SCF):
- Each electron moves in an average field of others
- Instant repulsion ignored
- Only one Slater determinant is used
