Density functional calculation of photoabsorption in metal clusters using an exchange-correlation potenatial with correct asymptotic behavior

摘要

The exchange-correlation potential with the correct-1/r asymptotic behavior proposed by Parr and Ghosh (Phys Rev A 1995, 51, 3564) is used here to study the linear response to external fields of (1) neutral and charged sodium clusters, and (2) doped clusters of the type Na_nPb (n = 4,6,16). Our results for the photoabsorption cross section are compared with experiments, when available, and with previous density functional theory calculations using local and nonlocal functionals. The calculated static polarizabilities and plasmon frequencies are in better agreement with experiments than were previous calculations.