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  1. Quantum Chemistry

    Linked via "electron correlation"

    Electronic Structure Methods
    Approaches within quantum chemistry are broadly categorized based on how they treat electron correlation—the instantaneous interactions between electrons that are neglected in simpler mean-field theories.
    Hartree-Fock (HF) Theory

  2. Quantum Chemistry

    Linked via "correlation effects"

    Hartree-Fock (HF) Theory
    The Hartree-Fock (HF) theory method is the foundational ab initio approach. It approximates the true multi-electron wavefunction ($\Psi$) as a single anti-symmetrized product of molecular spin orbitals (a Slater determinant). Each electron moves in an average field created by all other electrons, ignoring instantaneous correlation effects. The orbitals are determine…

  3. Quantum Chemistry

    Linked via "electron correlation"

    Configuration Interaction (CI): The true wavefunction is represented as a linear combination of the HF ground state determinant and excited state determinants (constructed from applying excitation operators to the reference determinant). Full CI (FCI) is exact within the basis set limit but computationally intractable for most chemical systems. Truncated [CI methods](/entries/configuration-interaction/…