SebWouters / QC-DMET
QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
☆37Updated 3 years ago
Related projects: ⓘ
- A library of density matrix embedding theory (DMET).☆28Updated last month
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆69Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆32Updated last year
- pyblock3: an efficient python block-sparse tensor library☆21Updated 3 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆50Updated 2 weeks ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆64Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆36Updated this week
- ☆48Updated last week
- ☆42Updated 3 weeks ago
- A Python package for wave function-based quantum embedding☆32Updated last week
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Updated 9 months ago
- Files for QMC Workshop 2021☆54Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Matrix product states (MPS) based density matrix renormalization group (DMRG)☆25Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆24Updated last year
- Quantum Chemistry Course @ BNU2021☆21Updated last year
- Reference implementation of GW☆13Updated 5 years ago
- A library combining solid quantum Monte Carlo and neural network.☆32Updated 3 months ago
- ☆43Updated this week
- A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.☆20Updated last year
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆32Updated last year
- Python implementation of the DMRG algorithm for the Taipei DMRG Winter School☆56Updated 11 years ago
- Exact diagonalization, Lehmann's representation, Two-particle Green's functions☆45Updated 3 weeks ago
- Quantum dynamics package based on tensor network states☆51Updated 3 weeks ago
- BoFiN HEOM Python version.☆16Updated last year
- Correlation consistent Gaussian basis sets for solids☆22Updated 4 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆21Updated 4 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year