1. Initial Guess: The HF method starts with an initial guess for the wave function. 2. Fock Matrix Construction: A Fock matrix is constructed using this initial guess. 3. Solving the Fock Equation: The Fock equation is solved to get new molecular orbitals. 4. Iterative Process: This process is repeated iteratively until convergence is achieved, meaning the input and output wave functions are the same.
