pauxy-qmc / pauxyLinks
Python Based Auxiliary-Field Quantum Monte Carlo
☆27Updated last year
Alternatives and similar repositories for pauxy
Users that are interested in pauxy are comparing it to the libraries listed below
Sorting:
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 3 months ago
- pyblock3: an efficient python block-sparse tensor library☆28Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆38Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 8 months ago
- A Python package for wave function-based quantum embedding☆35Updated this week
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- ☆55Updated last year
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Quantum dynamics package based on tensor network states☆62Updated last month
- Files for QMC Workshop 2021☆57Updated 3 years ago
- ☆58Updated 3 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆32Updated 2 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 8 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated 4 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆88Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 4 months ago
- ☆51Updated last month
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆42Updated 5 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated last month
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- Python library for real space quantum Monte Carlo☆94Updated this week
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆39Updated 2 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 2 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- ☆59Updated 3 months ago