Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
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Dec 4, 2024 - C++
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quantum-chemistry-methods
Here are 6 public repositories matching this topic...
Introduction to Quantum Mechanics for Chemists
quantum-mechanics density-functional-theory quantum-chemistry hartree-fock schrodinger-equation molecular-orbital-theory perturbation-theory hydrogen-atom particle-in-a-box quantum-chemistry-methods harmonic-oscilator
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Apr 17, 2024 - HTML
QuAcK: a software for emerging quantum electronic structure methods
quantum-mechanics density-functional-theory computational-chemistry quantum-chemistry quantum-chemistry-programs hartree-fock greens-functions electronic-structure electronic-structure-calculations many-body-perturbation-theory perturbation-theory coupled-cluster quantum-chemistry-methods quantum-chemistry-packages n-body-problem
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Dec 19, 2024 - Fortran
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
physics quantum quantum-mechanics wxwidgets computational-physics quantum-chemistry computational langevin wxwidgets-applications quantum-chemistry-programs quantum-monte-carlo variational-monte-carlo quantum-chemistry-methods fokker-planck
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Feb 8, 2024 - C++
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.
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Feb 26, 2021 - Fortran
Upstream coupled cluster code
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May 5, 2023 - Python
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