Atomic cluster-structure calculations of the X-ray near-edge absorption of silver

Abstract

A development of the finite difference method is used to compute atomic-cluster absorption spectra. The spectra is compared with recent high-precision measurements of the X-ray mass absorption coefficient of silver in the X-ray absorption fine structure region. The comparison indicates that in the near-edge region the finite difference method reproduces the fine structure qualitatively. The dominant theoretical techniques currently used in the literature to model these systems are the muffin-tin approach, the discrete variational method, the full linear augmented plane-wave approach and the finite difference method for near-edge structure. This Letter concentrates on the finite difference me..