QMC-Cornell / shci
Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
☆27Updated last year
Alternatives and similar repositories for shci:
Users that are interested in shci are comparing it to the libraries listed below
- Correlation consistent Gaussian basis sets for solids☆22Updated 9 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 6 months ago
- A Python package for wave function-based quantum embedding☆34Updated last month
- ☆10Updated this week
- A library of density matrix embedding theory (DMET).☆34Updated 3 weeks ago
- Coupled-cluster package written in Python.☆37Updated 3 weeks ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- An example to implement PBC SCF☆13Updated 6 years ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 7 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated 2 weeks ago
- ☆47Updated 3 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- GMTKN test sets in python☆10Updated 3 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Hartree-Fock Python☆17Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 7 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated 4 months ago
- ☆11Updated 3 years ago
- QMC=Chem version 2☆19Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated last week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated this week
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated 3 weeks ago
- MRH's research code☆21Updated this week
- Reference implementation of GW☆13Updated 5 years ago