Fock matrix

The Fock matrix is a fundamental concept in quantum chemistry, particularly in the context of Hartree-Fock theory, which is a method used to approximate the electronic structure of many-electron atoms and molecules. In the Hartree-Fock method, the electronic wave function is approximated as a single Slater determinant of one-electron orbitals. The Fock matrix serves as a representation of the effective one-electron Hamiltonian in this framework.