davidschlegel/hartree-fock

In this Haskell library, functions for implementing the hartree-fock method, a method for approximately solving electronic many-body systems, are provided. As an important tool, Gaussian integral evaluation functions are provided. Based on this, the Roothaan-Hall equation can be solved. NOTE: This library is highly experimentally and errors or bugs might occur. Use with patience.

PostScriptBSD-3-Clause