coupled-cluster
There are 17 repositories under coupled-cluster topic.
FermiQC/Fermi.jl
Fermi quantum chemistry program
molmod/psiflow
scalable molecular simulation
pfloos/QuAcK
QuAcK: a software for emerging quantum electronic structure methods
cc4s/cc4s
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
pwborthwick/harpy
Hartree-Fock Python
mqcomplab/GemCC_Data
Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.
pulkin/cc-diagrams
Automatic diagram and code generation of quantum chemistry coupled-cluster equations
alejandrogallo/sisi4s
Massively parallel electronic structure code for experimentation
alejandrogallo/atrip
High Performance library for the CCSD(T) algorithm in quantum chemistry
fabianzott/get_cbs
Complete Basis Set (CBS) Extrapolation from CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ Single Point Energies
pwborthwick/cc-ade
Algebraic Evaluation of Coupled-Cluster Diagrams
tjira/acorn
Fast and simple way to electronic structure methods.
caricato-ku/CHEM-Course-Code
Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas
schraderSimon/masterthesis
Master thesis of Simon Elias Schrader in Computational Science: Chemistry
alejandrogallo/cc4s.vim
vim package for cc4s