hongzhouye / ccgtoLinks
Correlation consistent Gaussian basis sets for solids
☆24Updated 5 months ago
Alternatives and similar repositories for ccgto
Users that are interested in ccgto are comparing it to the libraries listed below
Sorting:
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated 2 weeks ago
- ☆13Updated 3 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆37Updated 9 months ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- Pythonic electronic structure theory.☆21Updated last week
- An open source program for the description of metastable electronic states in molecules.☆22Updated 6 months ago
- SOC integrals generator with atomic mean field approximation☆10Updated 4 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆22Updated last week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 weeks ago
- Donostia Natural Orbital Functional Software☆20Updated 2 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- QMC=Chem version 2☆19Updated 2 weeks ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last month
- WEST code☆27Updated 3 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- Hartree-Fock Python☆20Updated 2 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 6 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated last week
- MRH's research code☆25Updated last week
- Open Orbital Optimizer☆29Updated 3 months ago
- Coupled-cluster package written in Python.☆46Updated 2 weeks ago