The Hartree-Fock (HF) method is the most straightforward wave function-based approach because it is fundamentally based on a single-particle picture . It determines the wave function by assuming that each electron occupies an independent orbital, interacting with an averaged field created by all other electrons. However, while HF accounts for electron-electron interactions, it neglects electron correlation, leading to inaccuracies in systems where these correlations are significant . The Hartree-Fock equations are typically solved using an atom-centered Gaussian basis set, which determines the accuracy of the energy calculations . A fundamental limitation of HF is its inadequacy for problems requiring multiple determinants, such as bond dissociation, where electron correlation plays a crucial role . Although increasing the number of Gaussian primitives can lower the energy, the method is ultimately constrained by the Hartree-Fock limit, which restricts the potential accuracy achievable with an infinite number of primitives .