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).☆35Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated last year
- 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 3 years ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- pyblock3: an efficient python block-sparse tensor library☆26Updated 10 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆77Updated last week
- ☆48Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 11 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Updated last year
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆56Updated 2 weeks ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated last week
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- ☆51Updated 7 months ago
- ☆26Updated 6 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆15Updated this week
- TD-DMRG and VHCI package☆9Updated 6 months ago
- Reference implementation of GW☆13Updated 5 years ago
- MRH's research code☆23Updated this week
- Files for QMC Workshop 2021☆56Updated 3 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆35Updated 2 weeks ago
- ☆50Updated this week
- ☆11Updated 2 weeks ago