PROJECT REPORT IN PHYSICS FOR INFORMATION

SCIENCE

COMPUTER SCIENCE AND ENGINEERING-“D”

PROJECT TITLE

SCHRONDINGER EQUATION SOLVER (“PARTICLE IN ONE

DIMENSION”)

MUTHUSAMAYADEVAN R 310624104200

NOORDEEN A 310624104217

MOHAMMAD HUZAIFA J
310624104190

SUBMITTED BY
 Easwari Engineering College
(Autonomous)
Ramapuram Campus
Chennai – 600 089

INTRODUCTON:
Introduction to the Schrödinger Equation
Solver for a Particle in One Dimension
The Schrödinger equation is the cornerstone of
quantum mechanics, governing the behavior of
quantum systems at microscopic scales. It
provides a mathematical framework to describe
how a quantum particle behaves when subjected
to different potential energy functions. This
equation plays a crucial role in understanding
atomic structures, molecular interactions, and
various quantum phenomena.
Background and Importance
In classical mechanics, a particle's motion is
determined using Newton’s laws, which describe
trajectories with definite positions and velocities.
However, in quantum mechanics, particles
exhibit wave-particle duality, meaning they
behave like both waves and particles. The
Schrödinger equation is a wave equation that
determines the allowed quantum states of a
system and the associated energy levels.
For a particle moving in one dimension, the time-
independent Schrödinger equation is:

where:

 ℏ\hbarℏ is the reduced Planck’s constant

(h/2πh/2\pih/2π),
 mmm is the mass of the particle,
 V(x)V(x)V(x) is the potential energy function,
 ψ(x)\psi(x)ψ(x) is the wavefunction,
representing the probability amplitude,
 EEE is the total energy of the particle.
Theoretical Significance
1.Wavefunction Interpretation
The function ψ(x)\psi(x)ψ(x) provides
information about the probability of finding a

∣ψ(x)∣2|\psi(x)|^2∣ψ(x)∣2,
particle at a given position. The square of the
wavefunction,
represents the probability density.
2.Quantization of Energy
Unlike classical systems where energy can
vary continuously, quantum systems often
 have discrete energy levels, which arise
from the solutions of the Schrödinger
equation.
3.Potential Energy and Boundary
Conditions
The form of V(x)V(x)V(x) dictates the
behavior of the particle. Solving the equation
for different potentials (e.g., free particle,
infinite potential well, finite well, harmonic
oscillator) gives distinct wavefunctions and
energy spectra.

by Unknown Author is licensed under

Component Technology Used:

Frontend HTML, CSS, JavaScript, React.js

Backend Python (Flask, Django) or Node.js

Solver NumPy, SciPy, SymPy, Matplotlib

Visualization Matplotlib, Plotly, D3.js

Deployment Heroku, Vercel, AWS, GitHub Pages

1. Understanding the Schrödinger

Equation
Before building the solver, we need to
understand the Schrödinger equation and
how to solve it numerically.
The time-independent Schrödinger
equation for a particle in one dimension is:

Where:

 ℏ\hbarℏ = Planck’s constant divided by 2π2\pi2π

(reduced Planck’s constant).
 mmm = mass of the particle.
 V(x)V(x)V(x) = potential energy function.
  ψ(x)\psi(x)ψ(x) = wavefunction of the particle.
 EEE = energy eigenvalue (quantized energy levels).
To solve this equation numerically, we discretize
the space and use matrix methods to compute the
wavefunctions and energy levels.

2. Frontend Development (User

Interface)
The frontend is the part of the website that
users interact with. It collects user inputs,
displays outputs, and visualizes results.
Technologies Used:
 HTML: Structures the webpage elements.
 CSS: Styles the webpage.
 JavaScript: Enables interactivity.
 React.js (optional): A framework for
building dynamic UI components.
 Bootstrap/Tailwind CSS (optional): Helps
create a responsive design.
Frontend Components:
1.Input Section
 o Allows users to enter values like mass
mmm, potential V(x)V(x)V(x), and
boundary conditions.
o Example: Dropdown menu to choose
between infinite well, finite well, or
harmonic oscillator.
2.Solve Button
o Sends user inputs to the backend and
waits for results.
3.Graph Display
oUses Plotly.js or D3.js to visualize
wavefunctions and probability densities.
o Displays eigenvalues (allowed energy
levels).

3. Backend Development (Mathematical

Solver)
The backend is responsible for solving the
Schrödinger equation based on user input.
Technologies Used:
 Python (Flask/Django): Handles HTTP
requests and computations.
 NumPy & SciPy: Performs numerical
solutions.
  Matplotlib/Plotly: Generates visual
plots.
Steps in Backend Development:
1. Receive Input from the Frontend
o The website sends user parameters
(mass, potential function, etc.).
o The backend extracts these values
and prepares to solve the equation.
2. Discretize the Schrödinger
Equation
o Convert the continuous
differential equation into a
discrete matrix equation.
o Use finite difference methods
(FDM) or Numerov’s method.
3. Solve for Eigenvalues and
Eigenfunctions
o Construct the Hamiltonian matrix.
o Use linear algebra techniques to
find eigenvalues (energy levels) and
eigenvectors (wavefunctions).
4. Send Results Back to the
Frontend
o Return computed energy levels and
wavefunctions as JSON.
 4. Interactive Visualization
To help users understand quantum states,
we use interactive graphs.
Visualization Tools:
 Matplotlib (Python) – Static graphs.
 Plotly (Python/JavaScript) – Interactive
visualizations.
 D3.js (JavaScript) – Real-time graphs.

5. Deployment (Hosting the Website)

To make the Schrödinger solver available
online, we deploy the website.
Hosting Platforms:
 Heroku – Easy Python/Flask deployment.
 Vercel – Great for frontend hosting.
 AWS/GCP/Azure – Advanced cloud
hosting.
 GitHub Pages – Free static hosting for
JavaScript-based solvers
6. User Interaction & Features
To make the website more user-
friendly, we can add:
 Sliders – Adjust well width and
potential height dynamically.
 Graphical Input – Allow users to
draw their own potential function.
 Download Feature – Let users
export wavefunctions.
Applications of the Schrödinger Equation in
a Particle in a Box
The particle in a box (also known as the
infinite potential well) is one of the most
fundamental quantum mechanical
problems. It provides insights into the
behavior of quantum particles confined in a
region with infinitely high potential barriers
at the edges.
Here are some important applications of
this model:

1. Quantum Confinement in Nanotechnology

 Application: Quantum Dots &
Semiconductor Devices
 In nanotechnology, tiny particles called
quantum dots behave like a particle in a
box.
 The discrete energy levels of a confined
electron in a nanostructure are used in
LEDs, solar cells, and medical imaging.
 Example: Quantum dots in QLED
displays and biological fluorescence
markers.

2. Spectroscopy & Molecular Energy Levels

Application: Optical Absorption and
Emission
 The energy quantization of molecules
can be studied using the particle in a
box model.
Helps explain absorption/emission


spectra of organic dyes and conjugated

molecules.
 Used in UV-Visible Spectroscopy for
studying electronic transitions.
 3. Superconductors & Conduction in
Nanowires
Application: Electron Transport in Thin
Films
 The electron movement in nanowires
and thin films can be approximated
using the particle in a box.
 Helps understand superconducting
materials and low-dimensional
conductors.
 Used in designing nanoelectronics and
quantum computing components.

4. Particle Confinement in Atomic &

Molecular Physics
Application: Free Electron Model in Metals
 The conduction electrons in metals can
be modeled using a 1D or 3D box.
 Helps explain electrical conductivity and
band structure in metals and
semiconductors.
 Basis for the nearly free electron model
used in solid-state physics.
 5. Biological Systems & Drug Delivery
Application: DNA & Protein Electron
Transport
 The energy levels of electrons in
biomolecules can be approximated
using the particle in a box.
 Used in studying molecular electronics,
DNA conductivity, and drug delivery
mechanisms.

6. Quantum Wells & Semiconductor Lasers

Application: Quantum Well Lasers & LEDs
 Semiconductor devices like lasers use
quantum wells, which confine electrons
similar to a particle in a box.
 Used in high-efficiency laser diodes,
optical communication systems, and
infrared detectors.

7. Nuclear Physics & Energy Quantization

Application: Alpha Decay & Nuclear
Reactions
  The quantum confinement model is used
to approximate the energy levels of
nucleons inside a nucleus.
 Helps in understanding alpha particle
emission and nuclear fusion.

 Applications of the Schrödinger

Equation in a Particle in a Box

***Quantum Confinement in Nanotechnology

***Spectroscopy & Molecular Energy Levels

***Superconductors & Conduction in Nanowires

***. Particle Confinement in Atomic & Molecular

Physics

***Biological Systems & Drug Delivery

***Quantum Wells & Semiconductor Lasers

***Nuclear Physics & Energy Quantization

Conclusion
The Schrödinger equation for a particle
in a box is a fundamental concept that has
real-world applications in
nanotechnology, electronics,
spectroscopy, superconductors,
biology, and nuclear physics. It is a
crucial model for understanding quantum
mechanics in confined systems.