hongzhouye / ccgto
Correlation consistent Gaussian basis sets for solids
☆22Updated 9 months ago
Alternatives and similar repositories for ccgto:
Users that are interested in ccgto are comparing it to the libraries listed below
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- A library of density matrix embedding theory (DMET).☆34Updated 3 weeks ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- Coupled-cluster package written in Python.☆37Updated 3 weeks ago
- An example to implement PBC SCF☆13Updated 6 years ago
- ☆10Updated last month
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- Hartree-Fock Python☆17Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 6 months ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 7 months ago
- Pythonic electronic structure theory.☆14Updated this week
- GMTKN test sets in python☆10Updated 3 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated 4 months ago
- MRH's research code☆21Updated this week
- ☆47Updated 3 weeks ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 7 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 7 months ago
- Reference implementation of GW☆13Updated 5 years ago
- Mathematica modules for electronic structure calculations☆26Updated last year
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- ☆24Updated 4 months ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last week