quan-tum / CDFCI
C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.
☆18Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for CDFCI
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- A Python package for wave function-based quantum embedding☆33Updated 2 weeks ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 2 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 4 months ago
- A library of density matrix embedding theory (DMET).☆29Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated last week
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- An example to implement PBC SCF☆11Updated 6 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆10Updated 5 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- ☆13Updated 3 months ago
- Parallel Computational Chemistry Application☆18Updated 7 years ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last week
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆10Updated 3 years ago
- Pythonic electronic structure theory.☆12Updated this week
- Donostia Natural Orbital Functional Software☆17Updated 5 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆33Updated last year
- ☆43Updated 2 months ago
- Reference implementation of GW☆13Updated 5 years ago
- Dyson equation solvers for electron propagator methods☆10Updated last week
- Hartree-Fock Python☆17Updated last year
- An open source program for the description of metastable electronic states in molecules.☆21Updated 3 weeks ago
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- ☆16Updated last month