gkclab / libdmet_previewLinks
A library of density matrix embedding theory (DMET).
☆37Updated 11 months ago
Alternatives and similar repositories for libdmet_preview
Users that are interested in libdmet_preview are comparing it to the libraries listed below
Sorting:
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- ☆63Updated 6 months ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated last month
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated this week
- pyblock3: an efficient python block-sparse tensor library☆28Updated 4 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆59Updated 2 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆94Updated 3 weeks ago
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆35Updated last month
- ☆13Updated 2 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆54Updated 2 years ago
- Coupled-cluster package written in Python.☆46Updated last month
- ☆44Updated last year
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆46Updated 5 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 5 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 7 months ago
- Reference implementation of GW☆13Updated 6 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 5 months ago
- A Wick theorem kernel written in C++ and interfaced with Python☆46Updated 10 months ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Updated 2 years ago