About

quantumGrid is a package for solving a 1-D Schrödinger equation for an arbitrary potential on any interval. The heart of this package is using a Finite Element Method with a Discrete Variable Representation (FEM-DVR) grid to solve the time-dependent or time-independent Schrödinger equation. This grid provides a compact supported foundation for numerically accurate integration and also allows for a natural application of outgoing scattering boundary conditions by adding a complex tail as the last finite element of the FEM-DVR grid, called exterior complex scaling (ECS). Therefore, this grid can be applied to scattering problems where the resonances become square integrable under this complex rotation of the Hamiltonian.

Motivation

This python package was created for a graduate course in time-dependent quantum mechanics at UC Davis. Given the 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!

Contributors ✨

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!