Abstract:In order to quantify the site‐dependent correlation strengths in terms of the quasi‐particle weights and the occupation numbers of 5f electrons in alpha phase plutonium metal with eight crystallographically nonequivalent atomic sites Pun (n = 1–8), we perform a first principles calculation by using a many‐body method merging density functional theory with dynamical mean‐field theory plus the relativistic and correlation effects. The quasi‐particle weight, the electronic spectrum function, the hybridization fun… Show more
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