Metadata-Version: 2.1
Name: quantnbody
Version: 0.0.1
Summary: A python package for quantum chemistry/physics to manipulate many-body operators and wave functions.
Home-page: https://github.com/SYalouz/QuantNBody
Author: Saad Yalouz, Martin Rafael Gulin, Sajathan Sekaran
Author-email: yalouzsaad@gmail.com
License: UNKNOWN
Keywords: quantum physics and chemistry,quantum many-body systems,exact diagonalization
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: Apache Software License 
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: scipy
Requires-Dist: numpy
Requires-Dist: numba



# QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.

The goal of the package is to provide a quick and easy way to build many-body operators and get access
(in a few python lines) to important quantities/objects such as :
 
- The shape of a wavefunction in a many-body basis (the so called CI-coefficients)
- The 1-body, 2-body (...) reduced density matrices (espressed in the Molecular orbital or spinorbital basis)
- The spin operators S^2, S_z (expressed in a many-body basis)
- ...
 
 
Hamiltonians already implemented:

- Ab initio electronic structure Hamiltonian (needs psi4 or PySCf to provide the electronic integrals)
- Fermi-Hubbard molecules Hamiltonians ( parameters given by the user )


Particular transformation already implemented:

- Regular Householder transformation
- Block-Householder transformation 
 


