From orbits to orbitals. Early pictorializations of electron probability densities

The transition from atomic models of the old quantum theory to the wave mechanics of mature quantum mechanics entailed a change from electronic orbits to orbitals. The former look like planets orbiting a central star, while orbitals are electronic wave functions interpreted as probability densities. In this paper, we investigate early attempts to create pictorial images of the electronic probability density in the hydrogen atom. We analyse various approaches to visualize solutions to the Schrödinger equation for atomic hydrogen from first attempts in the early 1930s until the advent of modern computer graphics in the 1970s. We replicate the approaches by White (1931), DeVault (1944) and Wiswesser (1945) and discuss their intrinsic features and limitations. The translation of abstract mathematical probability densities into tangible and broadly accessible pictorial representations of orbitals is a complex process that critically depends on the concepts and tools available for graphical representation.

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Publication Details

Journal
Annals of Science
Published
2025-12-09
DOI
https://doi.org/10.1080/00033790.2025.2582611
Primary Topic
History and advancements in chemistry
Type
article
Field-Weighted Citation Impact
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article

From orbits to orbitals. Early pictorializations of electron probability densities

Tilman Sauer, Kristin Sellmann
Annals of Science
History and advancements in chemistry
article

From orbits to orbitals. Early pictorializations of electron probability densities

Tilman Sauer, Kristin Sellmann
article en

Abstract

The transition from atomic models of the old quantum theory to the wave mechanics of mature quantum mechanics entailed a change from electronic orbits to orbitals. The former look like planets orbiting a central star, while orbitals are electronic wave functions interpreted as probability densities. In this paper, we investigate early attempts to create pictorial images of the electronic probability density in the hydrogen atom. We analyse various approaches to visualize solutions to the Schrödinger equation for atomic hydrogen from first attempts in the early 1930s until the advent of modern computer graphics in the 1970s. We replicate the approaches by White (1931), DeVault (1944) and Wiswesser (1945) and discuss their intrinsic features and limitations. The translation of abstract mathematical probability densities into tangible and broadly accessible pictorial representations of orbitals is a complex process that critically depends on the concepts and tools available for graphical representation.

Annals of Science
Johannes Gutenberg University Mainz (DE)
Openalex Percentile: Top 65%
History and advancements in chemistry
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