🌟 Carmela Code

✨ A Python library for solving the one-electron one-dimensional Time-Dependent Schrödinger Equation (TDSE)

Welcome to Carmela Code! 👋 This friendly library lets you explore quantum dynamics in a fun, interactive way. Whether you're simulating laser-matter interactions or just curious about how electrons behave in time-varying fields, Carmela has got you covered! 🚀

🎯 What is this?

Carmela Code solves the time-dependent Schrödinger equation for a one-electron system in one dimension. It's a toy model designed for rapid prototyping and experimentation—perfect for researchers, students, or anyone who wants to play with quantum mechanics without getting bogged down in complexity! 🎓⚛️

✨ Features

• 🔬 Full TDSE solver with customizable Hamiltonians
• 💡 Laser pulse generation with flexible envelope shapes
• 📊 Built-in visualization for wavefunctions and observables
• 🎨 Beautiful plots powered by matplotlib and palettable
• 📐 Momentum analysis via Fourier transforms and t-SURFF
• 🛡️ Absorbing boundaries to prevent reflection artifacts
• ⚡ Fast and flexible numerical propagation

🚀 Quick Start

Installation

Clone this repo and install dependencies:

git clone git@github.com:itsAlexNoir/carmela_code.git
cd carmela_code
pip install -e .

although, it is recommend to use uv instead of plain pip:

uv sync

Usage

Import the library in your Python scripts:

from carmela import *

Check out the example in calculations/example_XUV/ to see Carmela in action! 🎬

📦 Modules

Carmela is organized into clean, focused modules:

• 🧮 absorber – Absorbing boundary conditions
• 📏 axes – Spatial and momentum grids
• 🔢 constants – Physical constants in atomic units
• 📐 fdrule – Finite-difference rules
• 🌊 flux – Flux calculations for momentum distributions
• 📊 graph – Visualization utilities
• ⚛️ hamiltonian – Time-dependent Hamiltonians
• 📄 input_reader – Parse YAML/INP configuration files
• 💡 laser – Laser field generation
• 🚀 momentum – Momentum and kinetic energy analysis
• 🌀 wavefunction – Wavefunction manipulation and observables

🛠️ Requirements

• Python 3.13+
• numpy
• matplotlib
• palettable

All dependencies are managed automatically when you install the package! 📦

🎓 Example

Run the XUV ionization example:

cd calculations/example_XUV
python example_XUV.py

This will propagate a hydrogen ground state under an XUV pulse and calculate ionization yields. The configuration is in input.yaml for easy tweaking! ⚙️

🤝 Contributing

Got ideas? Found a bug? Want to add features? Contributions are welcome! Feel free to open issues or submit pull requests. Let's make quantum simulations more accessible together! 💪

📝 License

This project is open source. Check the repository for license details.

💬 Questions?

If you have questions or need help getting started, feel free to reach out or open an issue. Happy simulating! 🎉

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Made with ❤️ and ☕ for the quantum physics community