rquintero-88 / eomccgenLinks
Automatic equation of motion coupled cluster generator
☆17Updated 2 years ago
Alternatives and similar repositories for eomccgen
Users that are interested in eomccgen are comparing it to the libraries listed below
Sorting:
- A Python package for wave function-based quantum embedding☆37Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- ☆13Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- A library of density matrix embedding theory (DMET).☆38Updated 11 months ago
- Donostia Natural Orbital Functional Software☆22Updated 2 weeks ago
- Set of tools for trexio files☆19Updated 2 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 3 months ago
- SOC integrals generator with atomic mean field approximation☆10Updated 6 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- QMC=Chem version 2☆20Updated 2 weeks ago
- Coupled-cluster package written in Python.☆46Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Updated 2 months ago
- An open source program for the description of metastable electronic states in molecules.☆23Updated 8 months ago
- ☆12Updated 10 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Updated 3 weeks ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆27Updated 10 months ago
- ☆65Updated 7 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- An example to implement PBC SCF☆14Updated 7 years ago
- MRH's research code☆25Updated this week
- Reference implementation of GW☆13Updated 6 years ago