# Quantum mechanics of particles constrained to spiral curves with application to polyene chains

**Authors:** Eduardo V. S. Anjos, Antonio C. Pavão, Luiz C. B. da Silva, Cristiano C. Bastos

PMC · DOI: 10.1007/s00894-024-06030-y · 2024-07-01

## TL;DR

This paper explores how quantum particles behave on spiral curves, applying the findings to understand electron behavior in polyene chains.

## Contribution

The paper introduces a new method for modeling π electrons in polyenes using a weakened Coulomb potential on spiral curves.

## Key findings

- The Schrödinger equation with Dirichlet boundary conditions yields Bessel function solutions.
- Both the weakened Coulomb potential and particle-in-a-box models agree with experimental π-π* transition data.
- Effective mass corrections are incorporated in the particle-in-a-box approach.

## Abstract

Due to advances in synthesizing lower-dimensional materials, there is the challenge of finding the wave equation that effectively describes quantum particles moving on 1D and 2D domains. Jensen and Koppe and Da Costa independently introduced a confining potential formalism showing that the effective constrained dynamics is subjected to a scalar geometry-induced potential; for the confinement to a curve, the potential depends on the curve’s curvature function.

To characterize the \documentclass[12pt]{minimal}
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				\begin{document}$$\varvec{\pi }$$\end{document}π electrons in polyenes, we follow two approaches. First, we utilize a weakened Coulomb potential associated with a spiral curve. The solution to the Schrödinger equation with Dirichlet boundary conditions yields Bessel functions, and the spectrum is obtained analytically. We employ the particle-in-a-box model in the second approach, incorporating effective mass corrections. The \documentclass[12pt]{minimal}
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				\begin{document}$$\varvec{\pi }$$\end{document}π-\documentclass[12pt]{minimal}
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				\begin{document}$$\varvec{\pi ^{*}}$$\end{document}π∗ transitions of polyenes were calculated in good experimental agreement with both approaches, although with different wave functions.

## Full-text entities

- **Chemicals:** polyene (MESH:D011090)

## Figures

4 figures with captions in the complete paper: https://tomesphere.com/paper/PMC11217072/full.md

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Source: https://tomesphere.com/paper/PMC11217072