qmutils is a fast, modern C++ library for quantum mechanics calculations. It provides an intuitive interface for quantum operator algebra, including efficient normal ordering and matrix element computation.
- Fast: Optimized implementations with performance in mind, especially caching for complex expressions and repeated operations and multi-threading.
- Intuitive: Clean, modern C++ interface for defining and manipulating quantum operators and expressions.
- Flexible: Works with any second quantized quantum many-body system, allowing for the study of diverse models like the Hubbard model, t-J model, and much others (see examples).
- Reliable: Comprehensive test coverage and benchmarks ensure the accuracy and reliability of the library.
git clone https://github.com/organization/qmutils.git
cd qmutils
mkdir build && cd build
cmake ..
make#include "qmutils/basis.h"
#include "qmutils/expression.h"
#include "qmutils/matrix_elements.h"
#include "qmutils/operator.h"
using namespace qmutils;
// Create a simple Hamiltonian
const float t = 1.0f;
const float u = 0.5f;
Expression H;
H += t * Term::hopping(0, 1, Operator::Spin::Up); // Hopping term
H += u * Term::density(Operator::Spin::Up, 0); // Density term
// Work with basis states
FermionicBasis basis(4, 2, /*Sz=*/0); // 4 orbitals, 2 particles
auto matrix = compute_matrix_elements<SpMat_cf>(basis, H);See examples for more complex usages.
- C++17 compiler (GCC ≥ 7.0, Clang ≥ 5.0, or MSVC ≥ 19.14)
- CMake ≥ 3.10
Optional:
- Google Test (for testing)
- Google Benchmark (for benchmarks)
- Armadillo (for examples)
- OpenBLAS (for examples)
- OpenMP (for multi-threading)
- Creation/annihilation operators with spin and orbital indices.
- Bosonic and Fermionic support.
- Efficient symbolic normal ordering with caching.
- Basis state management.
- Matrix element computation (dense and sparse matrix support).
- Utilities for multi-dimensional lattice indexing.
MIT License - see LICENSE for details.
If you use qmutils in your research, please cite:
@software{qmutils2024,
author = {de Sousa, M.},
title = {qmutils: A C++ Library for Quantum Many-Body Calculations},
year = {2024},
url = {https://github.com/keyehzy/qmutils}
}