BoothGroup / dyson
Dyson equation solvers for electron propagator methods
☆10Updated 2 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for dyson
- Pythonic electronic structure theory.☆12Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 3 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- GMTKN test sets in python☆9Updated 2 years ago
- Donostia Natural Orbital Functional Software☆17Updated 5 months ago
- ☆13Updated 3 months ago
- A Python package for wave function-based quantum embedding☆33Updated 3 weeks ago
- ☆13Updated 3 weeks ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆10Updated 3 years ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Set of tools for trexio files☆19Updated last week
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆18Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- ☆16Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- An open source program for the description of metastable electronic states in molecules.☆21Updated last month
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆13Updated last year
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- QMC=Chem version 2☆19Updated 2 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 4 months ago
- Reference implementation of GW☆13Updated 5 years ago