theochem / ModelHamiltonianLinks
Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
☆34Updated 3 weeks ago
Alternatives and similar repositories for ModelHamiltonian
Users that are interested in ModelHamiltonian are comparing it to the libraries listed below
Sorting:
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆54Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆38Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆37Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆55Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- Coupled-cluster package written in Python.☆45Updated last month
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆21Updated 3 weeks ago
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- Repository for all summer program related programs☆46Updated last month
- Files for QMC Workshop 2021☆57Updated 3 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 3 months ago
- Quantum dynamics package based on tensor network states☆62Updated 3 weeks ago
- ☆55Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆36Updated 3 weeks ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 4 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- ☆59Updated 2 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 2 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated 2 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- ☆11Updated 6 months ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago