rquintero-88 / eomccgen
Automatic equation of motion coupled cluster generator
☆15Updated last year
Alternatives and similar repositories for eomccgen:
Users that are interested in eomccgen are comparing it to the libraries listed below
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- QMC=Chem version 2☆19Updated 3 months ago
- A Python package for wave function-based quantum embedding☆34Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆27Updated last year
- Set of tools for trexio files☆19Updated this week
- Correlation consistent Gaussian basis sets for solids☆23Updated 10 months ago
- Mathematica modules for electronic structure calculations☆26Updated last year
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- Repository for PseudopotentialLibrary.org website and database☆14Updated 8 months ago
- An example to implement PBC SCF☆13Updated 6 years ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 7 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated 3 weeks ago
- ☆10Updated last month
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- Coupled-cluster package written in Python.☆37Updated 3 weeks ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Hartree-Fock Python☆17Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 8 months ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- Reference implementation of GW☆13Updated 5 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated 5 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 8 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago