nmayhall-vt / FermiCG
☆11Updated 5 months ago
Alternatives and similar repositories for FermiCG:
Users that are interested in FermiCG are comparing it to the libraries listed below
- Cornell-Holland Ab-initio Materials Package☆15Updated 6 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Library for local orbital scaling correction (LOSC).☆16Updated 7 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 7 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 7 months ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Hartree-Fock Python☆17Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 9 months ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆13Updated 7 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated 4 months ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last week
- Code generator for simint vectorized integrals☆28Updated last year
- Automatic equation of motion coupled cluster generator☆15Updated last year
- pyblock3: an efficient python block-sparse tensor library☆21Updated 8 months ago
- Mathematica modules for electronic structure calculations☆26Updated last year
- Draft for my book about implementing density functional theory☆18Updated 2 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated 8 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- optking: A molecular geometry optimization program☆23Updated this week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆24Updated last year
- Pythonic electronic structure theory.☆14Updated this week
- GMTKN test sets in python☆10Updated 3 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated this week