Clusters [(Et3PAg)3(PhSi)3S6] and [(Me3PCu)(PhSi)3S6]2+ yield from selective replacement of one {SiPh} group in [(PhSi)4S6] by coinage metal complex fragments, which affects the optical properties.
We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1 − 4) by ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC)...