rquintero-88 / eomccgenLinks
Automatic equation of motion coupled cluster generator
☆16Updated last year
Alternatives and similar repositories for eomccgen
Users that are interested in eomccgen are comparing it to the libraries listed below
Sorting:
- Mathematica modules for electronic structure calculations☆29Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆25Updated 2 weeks ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Coupled-cluster package written in Python.☆40Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 11 months ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- QMC=Chem version 2☆19Updated 2 months ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 10 months ago
- Set of tools for trexio files☆19Updated 3 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆29Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆13Updated last week
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 weeks ago
- Donostia Natural Orbital Functional Software☆19Updated 6 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated this week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Reference implementation of GW☆13Updated 5 years ago
- Dyson equation solvers for Green's function methods☆10Updated last week
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- An example to implement PBC SCF☆14Updated 6 years ago
- Hartree-Fock Python☆18Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 3 weeks ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 11 months ago
- gammcor code☆11Updated 4 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago