brought to you by the AMO theory group at Berkeley National Lab
- Note:
- The image above is for a scattered wave on a 2D FEM-DVR grid and created using POV-Ray. A 2D example is included with this package but uses Python for plotting
Exterior Complex Scaled Finite-Element Element Discrete Variable Representation grid for general physics problems. In other words, quantumGrid is a package for solving a 1-D Schrödinger equation for an arbitrary potential.
This python package was created for a graduate course in time-dependent quantum mechanics at UC Davis. Given the ease of programming in python, generality and usefulness of a Finite Element Method - Discrete Variable Representation (FEM-DVR) grid for solving the Schrödinger equation and simple scattering problems, we wanted to go open source and provide this numerical tool for others in the name of science!
Following the documentation link below, a few toy problems can be found in the examples directory. There you will find example scripts implementing time-independent and time-dependent calculations of molecular hydrogen and two scripts for finding the vibrational states of molecular hydroden and carbon dioxide.
For more details in using quantumGrid, checkout our manual here: https://quantumgrid.readthedocs.io.
Thanks goes to these wonderful people (emoji key):
 Willaim (Bill) McCurdy 💻 🚧 📖 |
 Zachary Streeter💻 🚧 📖 |
 Giuseppe Barbalinardo💻 |
This project follows the all-contributors specification. Contributions of any kind welcome!
- Free software: MIT license
- This package template was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.