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Kappa Journal

Visualization of Probability Distribution for a Particle in a One-Dimensional Box using Computational Simulation

Zahra Ayanna Firmansyah, Nur Kayla Lekati, Aisyah Veronika, Hamdi Akhsan, Melly Ariska

Published Dec 24, 2025• 0 citations
Publisher

Abstract

This study presents a computational visualization of the stationary states of a particle confined in a one-dimensional infinite potential well, formulated entirely from analytical solutions and implemented in a cloud-based Python environment. Using Google Colab, wave functions, probability densities, and nodal structures were generated for several quantum numbers to illustrate fundamental quantum-mechanical characteristics, including energy quantization, spatial oscillatory behavior, and the emergence of classical correspondence at higher energy levels. The resulting visualizations offer a clear representation of the spatial distribution of quantum states, thereby supporting a conceptual understanding of the underlying analytical model. As a novelty, this study introduces a Colab-based analytical–numerical combination as a visualization medium, a format rarely explored in depth in quantum-well learning contexts. Beyond instructional applications, the modeled system accurately reflects the essential physical behavior of electrons in semiconductor quantum wells, where quantized subband energies and wave-function profiles significantly influence optical and electronic transitions. These findings demonstrate that analytically derived quantum models, when integrated with computational visualization, can effectively enhance conceptual comprehension while offering insight into the fundamental principles governing modern optoelectronic structures.

DOI
10.29408/kpj.v9i3.33120

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This study presents a computational visualization of the stationary states of a particle confined in a one-dimensional infinite potential well, formulated entirely from analytical solutions and implemented in a cloud-based Python environment. Using Google Colab, wave functions, probability densities, and nodal structures were generated for several quantum numbers to illustrate fundamental quantum-mechanical characteristics, including energy quantization, spatial oscillatory behavior, and the emergence of classical correspondence at higher energy levels. The resulting visualizations offer a clear representation of the spatial distribution of quantum states, thereby supporting a conceptual understanding of the underlying analytical model. As a novelty, this study introduces a Colab-based analytical–numerical combination as a visualization medium, a format rarely explored in depth in quantum-well learning contexts. Beyond instructional applications, the modeled system accurately reflects the essential physical behavior of electrons in semiconductor quantum wells, where quantized subband energies and wave-function profiles significantly influence optical and electronic transitions. These findings demonstrate that analytically derived quantum models, when integrated with computational visualization, can effectively enhance conceptual comprehension while offering insight into the fundamental principles governing modern optoelectronic structures.
This research aims to develop computational visualization of the wave function and probability distribution of particles in a one dimensional infinite potential well. The wave function is obtained analytically from the time-independent Schrödinger equation and then normalized to give it probabilistic meaning. Numerical simulations are carried out using Python with the NumPy library for computation and Matplotlib for visualization, allowing manipulation of parameters such as box length and quantum number. The visualization results confirm the basic concepts of quantum mechanics, namely quantized energy levels, sinusoidal wave function forms with a specific number of nodes, and probability distributions that have several peaks and are always positive. The simulation also shows the correspondence between wave-function nodes and zero-probability points, as well as the increasing complexity of oscillations and variations in probability distributions as the quantum number increases. These findings are consistent with theoretical predictions and show that the computational approach is effective in visualizing abstract concepts in quantum mechanics, thereby clarifying the relationship between mathematical formulation and its physical interpretation.
This study offers a comprehensive exploration of quantum mechanics by integrating theoretical analysis with simulation-based experimentation to investigate fundamental principles such as energy quantization, operator expectations, and wavefunction behavior. Utilizing a mixed-methods approach, the research employed numerical solutions to the time-independent Schrödinger equation and qualitative analysis of foundational quantum postulates to model and interpret the behavior of discrete quantum states. Nine detailed datasets were generated, each containing over 20 quantum states, capturing energy levels, expectation values of position and momentum, and probability density maxima. The analysis revealed consistent non-linear spacing in energy levels, symmetrical behavior in position and momentum distributions, and the emergence of wavefunction localization in high-probability states. Twelve complex visualizations—including line, bar, pie, scatter, and hybrid plots—further illustrated the dynamic relationships among observables. These results confirm core theoretical constructs such as the Heisenberg uncertainty principle and the correspondence between potential confinement and probability density peaks. Violin plots and scatter matrices identified subtle structural symmetries and degeneracies in state distributions, while hybrid line-bar visualizations highlighted state-dependent transitions in expectation values. Additionally, the study demonstrated the scalability and accuracy of simulation frameworks in modeling quantum systems and emphasized their pedagogical value in visualizing abstract quantum behaviors. Collectively, the results substantiate quantum mechanical theory while offering data-driven insights into operator correlations and system evolution. This research not only reinforces classical interpretations but also paves the way for further exploration in quantum computing, photonic systems, and educational simulations.
This paper examines the particle-in-a-box model as a simple but powerful example that highlights the fundamental differences between classical and quantum physics. In classical mechanics, a particle confined between two rigid walls moves with constant velocity and has a uniform probability of being found anywhere in the box; its energy can take any continuous value. In contrast, solving the Schrödinger equation for an infinite potential well yields standing-wave solutions whose wavelengths must satisfy fixed boundary conditions. These constraints produce discrete, quantized energy levels and non-uniform probability distributions, features with no classical analog. Through analytical derivations and numerical simulations using Python, we visualize wave functions, probability densities, and the statistical convergence of random samples toward the theoretical quantum distributions. Comparisons with the classical uniform distribution emphasize how quantum mechanics replaces certainty with probability and continuity with quantization. Finally, we connect the model to real physical systems—such as electrons confined in atoms—to show how this idealized system provides essential insight into the structure and stability of matter.
The wave function is a fundamental concept in quantum mechanics, but its abstract nature makes it difficult for students to understand its behavior. Furthermore, it is the probabilistic nature of particles that makes direct observation of quantum wave dynamics impossible. Therefore, this research investigates the eigenstates, superposition, and the time-dependent probability density of a particle within an infinite potential well through theoretical analysis and computational visualization based on Streamlit. The research method combines analysis with mathematical calculations to obtain the eigenstates, calculate |Ψ|², the expected position value, and the phase evolution of the superposition state. The visualizations illustrate the relationship between the wave function and quantum numbers, as well as interference patterns and time-dependent behavior. The visualization results show how the method represents theoretical concepts related to the probabilistic nature of particles. This research shows that theoretical analysis combined with interactive visualization provides an interactive representation that may facilitate students’ understanding of quantum mechanics concepts, a potential that still requires empirical validation through classroom-based studies. Unlike existing closed-source quantum applets, the Quantum Probability Explorer is fully open-source and directly couples the analytical solution of the Schrödinger equation with real-time interactive visualization of eigenstates and superposition, which constitutes the novelty of this study.
This paper discussed the digitization of some analytical solutions of the fundamental equation of non-relativistic quantum mechanics, the Schrödinger equation, in the Python programming environment. The main objective of the work is to automate the solution of several known analytically solvable problems of quantum mechanics and ensure their use in more complex problems. For this purpose, the Python programming environment was chosen, which, due to the large number of libraries and flexibility, is currently widely used in solving physical and mathematical problems. In the program we propose, which is available on the GitHub platform, it is solved easily. The problem of determining the probability of the spatial distribution of an electron in a hydrogen-like atom is discussed. The Schrödinger equation is presented in the spherical coordinate system. The wave function, describing the electron's state, quantized energy values, and probability density, is derived analytically. A recursive function was written in Python to handle the series coefficients defining the wave function. Utilizing relevant libraries, the resulting program constructs electron spatial distribution functions for different excitation levels. The paper then examines two one-dimensional tunneling scenarios and provides the tunneling coefficients in analytical form. A Python program was developed to plot the dependence of these coefficients on the particle's coordinate and energy. All the code is available on GitHub.
This study presents a comprehensive methodology for the three-dimensional visualization of electron clouds in Landau energy levels using Monte Carlo simulation techniques. Initially, this research deduces the wave function of electrons in Landau energy levels from the Schrödinger equation, solving it to obtain the eigenvalue equation for a one-dimensional harmonic oscillator containing Hermite polynomials, and then utilizes Mathematica for computational execution, resulting in the generation of intricate three-dimensional visual representations of electron clouds within these Landau levels. By integrating this approach into quantum mechanics education and research, we surpass the constraints inherent in traditional educational resources. This facilitates a visual insight, allowing students to gain a more tangible understanding of electron spatial behavior and a profound comprehension of the electron cloud's genuine physical significance. Concurrently, this study presents a comprehensive technique for rendering the three-dimensional representation of the electron cloud for generic atomic systems, employing the Monte Carlo simulation method and computational programming. This offers an innovative avenue for the advancement of visual educational tools in quantum mechanics.