comscope / ComDMFTLinks
ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong on-atom correlations. The impurity problem is set up using Wannier90 and cRPA, and is solved with DMFT and the ComCTQMC impurity solver.
☆35Updated 2 years ago
Alternatives and similar repositories for ComDMFT
Users that are interested in ComDMFT are comparing it to the libraries listed below
Sorting:
- DMFT software for CORrelated Electrons☆49Updated 3 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆38Updated last year
- Many-Body Perturbation solvers for Green project☆13Updated last week
- Interacting quantum impurity solver toolkit☆42Updated 5 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Reference implementation of GW☆13Updated 6 years ago
- ☆65Updated 7 months ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 3 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- Correlation consistent Gaussian basis sets for solids☆25Updated 8 months ago
- pyblock3: an efficient python block-sparse tensor library☆28Updated 5 months ago
- ☆25Updated last month
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆35Updated 11 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆39Updated last month
- A fast and generic hybridization-expansion solver. Supported by the Flatiron Institute.☆22Updated 3 weeks ago
- A set of ipython and c++ tutorials☆21Updated 3 months ago
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆29Updated 2 months ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Updated 2 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆47Updated 5 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated last week
- Files for QMC Workshop 2021☆60Updated 4 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆98Updated 2 weeks ago
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆40Updated 2 years ago
- A Python package for wave function-based quantum embedding☆38Updated 2 weeks ago
- KITE Quantum Transport Software☆32Updated 4 months ago