Constructing the Fock matrix involves several computational steps: 1. Guessing an initial wavefunction: This serves as a starting point for the iterative process. 2. Calculating the core Hamiltonian: This includes kinetic energy and nuclear-electron attraction terms. 3. Evaluating electron-electron interactions: This involves computing the Coulomb and exchange integrals. 4. Iterating to self-consistency: The process is repeated until the Fock matrix converges to a stable solution.
