
Spin-permutation diabatization, an intuitive map for molecular magnetism
Chemistry • DIPC Computational and Theoretical Chemistry • Quantum chemistry
Ever since the birth of quantum mechanics in the early twentieth century, chemists have struggled with a fundamental paradox. On one hand, Lewis dot structures and molecular drawings teach us to think of electrons as localized entities—either sitting neatly in lone pairs or shared directly between two bonding atoms. On the other hand, Schrödinger’s wave […]








