quan-tum / CDFCILinks
C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.
☆18Updated 5 years ago
Alternatives and similar repositories for CDFCI
Users that are interested in CDFCI are comparing it to the libraries listed below
Sorting:
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Parallel Computational Chemistry Application☆18Updated 8 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 2 months ago
- ☆13Updated 2 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- Donostia Natural Orbital Functional Software☆20Updated 2 weeks ago
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- Set of tools for trexio files☆19Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- An open source program for the description of metastable electronic states in molecules.☆22Updated 4 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last month
- A Python package for wave function-based quantum embedding☆35Updated 3 weeks ago
- MRH's research code☆25Updated this week
- A modern C++ library for high-performance configuration interaction methods☆18Updated 2 months ago
- Natural-orbital Functional based on PySCF☆10Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Pythonic electronic structure theory.☆19Updated 3 months ago
- Hartree-Fock Python☆18Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆29Updated last week
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- ☆55Updated 3 months ago