Retrieving "Molecular Orbital" from the archives

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1. Quantum Chemistry

   Linked via "molecular spin orbitals"

   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…