hungpham2017 / pDMET
Density matrix embedding theory for periodic systems
☆18Updated 3 years ago
Alternatives and similar repositories for pDMET:
Users that are interested in pDMET are comparing it to the libraries listed below
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Reference implementation of GW☆13Updated 5 years ago
- SOC integrals generator with atomic mean field approximation☆9Updated 5 months ago
- A library of density matrix embedding theory (DMET).☆35Updated 2 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last year
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated last year
- Correlation consistent Gaussian basis sets for solids☆23Updated 11 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆10Updated 11 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- ☆11Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 4 years ago
- Python tools for mean-field Hubbard models☆24Updated last month
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆13Updated last year
- Restore the symmetry of Wannier Hamiltonian generated by Wannier90☆27Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 8 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 6 years ago
- Python modules for electron–phonon models☆32Updated 2 weeks ago
- Pythonic electronic structure theory.☆16Updated this week
- A poor man's density functional theory program☆13Updated 5 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 9 months ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- Tutorial for Wannier2022☆14Updated 4 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆15Updated this week