quantum-chemistry-methods

There are 6 repositories under quantum-chemistry-methods topic.

  • qcscine/qcmaquis

    Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

    Language:C++32102715

  • QC-Edu/IntroQM

    Introduction to Quantum Mechanics for Chemists

    Language:HTML30364

  • pfloos/QuAcK

    QuAcK: a software for emerging quantum electronic structure methods

    Language:Fortran23718

  • aromanro/VQMCMolecule

    Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

    Language:C++13564

  • qcscine/nevpt2

    QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.

    Language:Fortran5603

  • HyQD/coupled-cluster

    Upstream coupled cluster code

    Language:Python39483