QMC-Cornell / shciLinks
Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
☆33Updated last month
Alternatives and similar repositories for shci
Users that are interested in shci are comparing it to the libraries listed below
Sorting:
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A Python package for wave function-based quantum embedding☆37Updated last week
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- A library of density matrix embedding theory (DMET).☆37Updated 10 months ago
- ☆13Updated last month
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- ☆60Updated 5 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 4 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 months ago
- Donostia Natural Orbital Functional Software☆21Updated last month
- An open source program for the description of metastable electronic states in molecules.☆22Updated 7 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated last month
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- MRH's research code☆25Updated 2 weeks ago
- Coupled-cluster package written in Python.☆46Updated 2 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated this week
- Automatic equation of motion coupled cluster generator☆17Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- An example to implement PBC SCF☆14Updated 7 years ago
- Hartree-Fock Python☆20Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆23Updated 3 weeks ago
- Reference implementation of GW☆13Updated 6 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated last week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆52Updated 2 years ago
- ☆60Updated 5 months ago
- ☆12Updated 9 months ago