Numerical solution of the Hartree-Fock equations for quasi-one-dimensional systems: Prototypical calculations on the (—H—)x chain

Momentum-space equations of the restricted Hartree-Fock method for quasi-one-dimensional systems are obtained and analyzed in view of direct numerical determination of their solutions. Calculations on the basis of known results on the infinite linear chain of hydrogen atoms whose Bloch states are approximated in terms of 1s hydrogenic atomic functions are made to test the formalism as well as the mathematical and computational implications of a numerical approach. Future developments along these lines are discussed on the basis of the practical knowledge imparted by these preliminary tests.