Investigating the volume maximizing the probability of finding ν electrons from variational monte carlo data'
Résumé
An algorithm is introduced for the search of a volume, in the three-dimensional space, which maximizes the probability of finding να up electrons and ν β down electrons inside the volume, all the other electrons being outside of it. This search is performed after a Variational Monte Carlo sampling of the N-particle density generated by the wave function.
Domaines
Chimie théorique et/ou physiqueOrigine | Fichiers produits par l'(les) auteur(s) |
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