Abstract
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.
Original language | English |
---|---|
Pages (from-to) | 247-252 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 485 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - 2010 Jan 18 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry