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MPI FKF Stuttgart
- Stuttgart
Stars
Collection of scientific old books digitized into LaTeX.
Quantum information-assisted orbital optimization package.
PDFBeads -- convert scanned images to a single PDF file
sneg is a Mathematica package for performing algebraic calculation with non-commuting operators in many-particle physics
Software package to handle the many-fermionic operator
A library for X-ray spectrum simulation
Tools for calculating MCD spectra with OpenMolcas
parallel joint diagonlization
State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
Efficient parallel quantum chemistry DMRG in MPO formalism
Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
Brilliantly Advanced General Electronic-structure Library
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.