Minimum Magnetizability Principle

Details Minimum Magnetizability Principle Minimum Magnetizability Principle

2006-04-12

arxiv.org/abs/physics/0604100v1

Physics

Chemical Physics

2 Pages, 3 Figures

Scientific paper

10.1063/1.2227381

A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional theory (DFT) in explaining the magnetic interactions and magnetochemistry. This principle may be stated as, "A stable configuration/conformation of a molecule or a favorable chemical process is associated with a minimum value of the magnetizability". It has also been shown that a soft molecule is easily polarizable and magnetizable than a hard one.

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