Elektronrepulsie

Elektronrepulsie, also known as electron repulsion or interelectronic repulsion, is a fundamental concept in quantum chemistry and physics that describes the electrostatic force of repulsion between two or more electrons. Since electrons carry a negative electric charge, they naturally repel each other according to Coulomb's law. This repulsion plays a crucial role in determining the structure and behavior of atoms and molecules.

In atomic orbitals, electron repulsion influences the filling order of these orbitals. For instance, within a given electron shell, electrons will occupy separate orbitals as much as possible before pairing up, a principle known as Hund's rule. This arrangement minimizes the overall electron repulsion. Similarly, in molecular orbitals, electron repulsion affects bond strengths and molecular geometries. The repulsion between electron pairs in the valence shell of an atom is the basis for the VSEPR (Valence Shell Electron Pair Repulsion) theory, which predicts the three-dimensional shapes of molecules.

The accurate calculation of electron repulsion is essential for performing ab initio quantum chemistry calculations, which aim to solve the Schrödinger equation without empirical approximations. However, the many-body nature of electron repulsion makes these calculations computationally intensive, leading to the development of various approximation methods. Understanding electron repulsion is therefore key to comprehending chemical bonding, molecular properties, and the electronic structure of matter.