/wickedtree

A simple implementation of Wick's theorem using binary trees.

Primary LanguagePython

wickedtree - A Recursive Wick's Theorem Implementation

wickedtree is a simple implementation of Wick's theorem exploiting a binary tree. The approach is based on "traveling" with creation operators, recursively, from right to left, such that a binary tree is constructed containing all possible contractions of a many-body expression.

The purpose of this project is to produce a simple and pedagogical code, allowing for simple calculations of time-independent many-body expressions in quantum chemistry. It is not meant to be a computationally performant code.