Fenske-Hall Calculations on Polyoxometalate Anion

In this contribution, we used Fenske–Hall molecular orbital method, an approximate self-consistent-field (SCF) ab initio method that contains no-empirical parameters. We demonstrate for polyoxometalate anion, Lindqvist metal oxide cluster, W₆O₁₉ ^2-, that the non-empirical Fenske–Hall (FH) approach provides qualitative results that are quite similar to the more rigorous treatment given by density functional theory (DFT).