henhans
Follow
Stars
Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)
1-dimensional Bose-Hubbard model with exact diagonalization method
Semiempirical Extended Tight-Binding Program Package
DFTB+ general package for performing fast atomistic simulations
ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
A collection of codes to compute dynamics and response quantities from Wannier90 output
Efficient parallel quantum chemistry DMRG in MPO formalism
Adaptive numerical solution of Kadanoff-Baym equations
pyscf with finite temperature exact diagonalization solver
Some useful python functionality for quantum chemistry applications
Thermofield dynamics based finite temperature Coupled cluster code for a general ab-initio Hamiltonian
The Ghent Quantum Chemistry Package for electronic structure calculations
julia package for working with Keldysh Green's functions
NRG Ljubljana is a numerical renormalization group implementation for solving quantum impurity problems in theoretical physics
Brilliantly Advanced General Electronic-structure Library
A python package of utils for DFT, Tight binding, etc.
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…
A simplified auxiliary field QMC code for algorithm development, performance portability testing, and computer science experiments
Implementation of the cluster dynamical mean-field theory
Nonequilibrium quantum impurity solver - CT-1/2-HYB-QMC
A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.