A Corpuscular Picture of Electrons in Chemical Bond

TL;DR

This paper proposes a novel corpuscular electron theory for chemical bonds using localized wave packets and spin coupling, offering a new perspective on bonding in ground and excited states.

Contribution

It introduces a minimal localized wave packet model with floating and breathing degrees of freedom combined with spin-coupling, differing from traditional theories.

Findings

Accurately describes ground and excited state bonds

Handles spin singlet and triplet states distinctly

Potential for a dynamic electron bonding theory

Abstract

We introduce a theory of chemical bond with a corpuscular picture of electrons. It employs a minimal set of localized electron wave packets with 'floating and breathing' degrees of freedom and the spin-coupling of non-orthogonal valence-bond theory. It accurately describes chemical bonds in ground and excited states of spin singlet and triplet, in a distinct manner from conventional theories, indicating potential for establishing a dynamical theory of electrons in chemical bonds.