Browsing Research Articles (Chemistry) by Subject "One-electron approximation"

Browsing Research Articles (Chemistry) by Subject "One-electron approximation"

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  • Cooper, David L.; De Lange, Jurgens Hendrik; Ponec, Robert (Springer, 2020-11)
    Two complementary methodologies for extracting useful insights into electronic structure and bonding from contemporary wavefunctions are compared. The first of these, known as the analysis of domain-averaged Fermi holes ...