Time-dependent Hartree–Fock frequency-dependent polarizability calculation applied to divide-and-conquer electronic structure method

This Letter describes the extension of the linear-scaling divide-and-conquer (DC) approach to the time-dependent Hartree–Fock (TDHF) method for evaluating dynamic polarizabilities. In this DC–TDHF method, the density response appeared in the coupled perturbed Hartree–Fock equation of the TDHF method as well as the unperturbed Hartree–Fock density matrix are constructed in the DC manner. Numerical assessments demonstrate that the present DC–TDHF method gives highly accurate results with less computational costs.