This repository contains the scrips and data needed to perform the UCC and ADAPT VQE simulation of light nuclei in the p shell.
The VQE library has three modules: Nucleus, Ansatze and Methods. They have the necessary classes and functions to run a certain method (UCC or ADAPT), with a given ansatz representing an atomic nucleus.
The data necessary to bild the Hamiltonian matrix and the operators of each nucleus is stored in the data folder. Such data was generated using the Cohen-Kourath interaction. Credit to Antonio Márquez Romero.
In the UCC_ADAPT_tests.py script you will find two functions to execute both of the methods for any nuclei in the data folder. The name of the nuclei has to be given to the functions as a string (e. g. "Li6") and the reference state can be specified with an integer (corresponding to the many-body basis indices, specified in the mb_basis_2.dat file of the data folder).