Time dependent density functional theory calculation of van der Waals coefficient C${}_6$ of alkali-metal atoms Li, Na, K, alkali dimers Li${}_2$, Na${}_2$, K${}_2$ and sodium clusters Na${}_n$

Arup Banerjee, Jochen Autschbach

In this paper we employ all-electron time dependent density functional theory (TDDFT) to calculate the long range dipole-dipole dispersion coefficient (van der Waals coefficient) $…