SebWouters / CheMPS2Links
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
☆71Updated 3 months ago
Alternatives and similar repositories for CheMPS2
Users that are interested in CheMPS2 are comparing it to the libraries listed below
Sorting:
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- ☆59Updated 3 months ago
- ☆58Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆32Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated 3 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 3 months ago
- Quantum Package : a programming environment for wave function methods☆77Updated 2 weeks ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated 3 weeks ago
- Open source stochastic quantum chemistry☆76Updated last week
- A Python package for wave function-based quantum embedding☆35Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 8 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆44Updated last month
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 8 months ago
- ☆51Updated 2 months ago
- MPI parallelization for PySCF☆34Updated 11 months ago
- Coupled-cluster package written in Python.☆46Updated last week
- ☆48Updated this week
- ☆23Updated 3 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 8 months ago
- TREX I/O library☆61Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 3 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆38Updated 2 years ago
- ☆36Updated last year
- MRH's research code☆25Updated this week
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆89Updated last week