ZhuGroup-Yale / fcdmft
Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
☆33Updated last year
Related projects ⓘ
Alternatives and complementary repositories for fcdmft
- A library of density matrix embedding theory (DMET).☆30Updated last week
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- A Python package for wave function-based quantum embedding☆33Updated 3 weeks ago
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- ☆44Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Coupled-cluster package written in Python.☆27Updated last week
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆54Updated 2 weeks ago
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆13Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Reference implementation of GW☆13Updated 5 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- An example to implement PBC SCF☆12Updated 6 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆21Updated 4 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆39Updated 2 months ago
- pyblock3: an efficient python block-sparse tensor library☆21Updated 5 months ago
- ☆45Updated 2 months ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Updated 11 months ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Mathematica modules for electronic structure calculations☆26Updated last year
- ☆19Updated last month
- ☆9Updated last week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated 9 months ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆16Updated last week
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week