A Fortran 90 program to solve the Hartree-Fock equations for interacting spin-fermions confined in harmonic potentials. Solution method: For a one-dimensional periodic π-conjugated system lying in the xy-plane, the single-particle Bloch orbitals are expressed as linear combinations of pz-orbitals of individual atoms. Then using various parameters defining the P-P-P Hamiltonian, the Hartree-Fock equations are set up as a matrix eigenvalue problem in the k-space. Thereby, its solutions are obtained in a self-consistent manner, using the iterative diagonalizing technique at several k points. The band structure and the corresponding Bloch orbitals thus obtained are used to perform a variety of calculations such as the density of states, linear optical absorption spectrum, electro-absorption spectrum, etc.
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- Pal, Hridis Kumar; Shukla, Alok: A Fortran 90 program to solve the Hartree-Fock equations for interacting spin-fermions confined in harmonic potentials (2008)