Basis Set Visualizer

Interactive visualization tool for atomic basis sets from the Basis Set Exchange (BSE)

Launch Tool Source Code

About

This tool provides interactive visualization of atomic basis sets used in Density Functional Theory (DFT) calculations. Browse the Basis Set Exchange database, visualize 3D orbitals, and export data for your quantum chemistry calculations.

Features

Browse 500+ basis sets from BSE
3D orbital visualization
Interactive parameter controls
Export to multiple formats
Side-by-side comparison
Periodic table interface

How to Use

  1. Click "Launch Tool" to open the application
  2. Select an element from the periodic table
  3. Choose a basis set (e.g., 6-31G, cc-pVDZ, def2-TZVP)
  4. Visualize orbitals and explore parameters
  5. Export data for your calculations

Technical Stack

Python Streamlit Basis Set Exchange Plotly NumPy SciPy