SebWouters / QC-DMET
QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
☆38Updated 4 years ago
Alternatives and similar repositories for QC-DMET:
Users that are interested in QC-DMET are comparing it to the libraries listed below
- A library of density matrix embedding theory (DMET).☆34Updated 3 weeks ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- pyblock3: an efficient python block-sparse tensor library☆22Updated 8 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆71Updated this week
- A Python package for wave function-based quantum embedding☆34Updated last month
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- ☆47Updated last month
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆56Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆27Updated last year
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 9 months ago
- ☆50Updated 3 weeks ago
- Files for QMC Workshop 2021☆56Updated 3 years ago
- ☆49Updated 5 months ago
- Reference implementation of GW☆13Updated 5 years ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Updated last year
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Interacting Quantum Impurity Solver Toolkit☆38Updated 3 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆33Updated last week
- Quantum dynamics package based on tensor network states☆56Updated 2 months ago
- ☆24Updated 4 months ago
- TD-DMRG and VHCI package☆9Updated 4 months ago
- Coupled-cluster package written in Python.☆37Updated last month
- A library combining solid quantum Monte Carlo and neural network.☆37Updated 2 months ago
- Matrix product states (MPS) based density matrix renormalization group (DMRG)☆26Updated last year