gaussian-type-orbitals

Here are 2 public repositories matching this topic...

Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations

Python-based localized-orbital Density Functional Theory code for educational purposes.

Add a description, image, and links to the gaussian-type-orbitals topic page so that developers can more easily learn about it.

To associate your repository with the gaussian-type-orbitals topic, visit your repo's landing page and select "manage topics."