Mean-field approximation that represents the many-electron wavefunction as a single Slater determinant, enforcing Pauli antisymmetry but treating electron-electron repulsion only as an average (no correlation). Starting point for most…
Hartree-Fock theory
Related concepts
- Born-Oppenheimer approximation
- Pauli exclusion principle
- Electron correlation
- Schrödinger equation
- Spectral theorem
- Linear map
- Coupled cluster CCSD(T)
- Multireference methods (CASSCF, MRCI, NEVPT2)
- Koopmans' theorem
- Configuration interaction (CI)
- Dirac–Hartree–Fock (relativistic)
- Hartree–Fock SCF equations
- Symmetric group S_n
- Rank-nullity theorem