Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
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Updated
Nov 22, 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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Updated
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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Updated
Nov 16, 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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Updated
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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Updated
May 5, 2023 - Python
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