Finite size scaling for the atomic Shannon-information entropy

Qicun Shi, Sabre Kais

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

A finite size scaling method was developed for analyzing the criticality of Shannon-information entropy for quantum Hamiltonian. Critical exponents of the Shannon-information entropy, electronic energy, and the correlation length for atoms, with the variable inverse of the nuclear charge, were also analyzed. It was found that the bound state energies got absorbed or degenerated with continuum states at the critical points. The results show that entropies reach at their maximum value which indicates the maximum delocalization of the electronic wave functions.

Original languageEnglish
Pages (from-to)5611-5617
Number of pages7
JournalJournal of Chemical Physics
Volume121
Issue number12
DOIs
Publication statusPublished - 22 Sep 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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