Fast computation of the Kohn-Sham susceptibility of large systems
Langue
en
Article de revue
Ce document a été publié dans
Physical Review B: Condensed Matter and Materials Physics (1998-2015). 2005-08-15, vol. 72, n° 7, p. 073106 (1-4)
American Physical Society
Résumé en anglais
For hybrid systems, such as molecules grafted onto solid surfaces, the calculation of linear response in time dependent density functional theory is slowed down by the need to calculate, in N^4 operations, the susceptibility ...Lire la suite >
Mots clés en anglais
Kohn-Sham susceptibility
TDDFT
fast algorithm