Master thesis of Simon Elias Schrader in Computational Science: Chemistry
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Updated
Nov 23, 2022 - Python
Master thesis of Simon Elias Schrader in Computational Science: Chemistry
Fast and simple way to electronic structure methods.
Algebraic Evaluation of Coupled-Cluster Diagrams
vim package for cc4s
Complete Basis Set (CBS) Extrapolation from CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ Single Point Energies
Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas
Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.
Massively parallel electronic structure code for experimentation
High Performance library for the CCSD(T) algorithm in quantum chemistry
Automatic diagram and code generation of quantum chemistry coupled-cluster equations
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
Hartree-Fock Python
scalable molecular simulation
QuAcK: a software for emerging quantum electronic structure methods
Fermi quantum chemistry program
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