Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
☆35Aug 28, 2023Updated 2 years ago
Alternatives and similar repositories for Block
Users that are interested in Block are comparing it to the libraries listed below
Sorting:
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated 7 months ago
- Density Matrix Renormalization Group (DMRG) in Python☆29Mar 14, 2012Updated 13 years ago
- Nuclear many-body course for 2018☆19Aug 5, 2022Updated 3 years ago
- ☆11Mar 13, 2021Updated 4 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆100Feb 20, 2026Updated last week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- Utilities for use in codes for the simulation of strongly correlated electrons☆11Nov 17, 2025Updated 3 months ago
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆80Aug 8, 2023Updated 2 years ago
- ☆66Jun 15, 2025Updated 8 months ago
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 4 years ago
- A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization☆32Dec 29, 2025Updated 2 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Jul 11, 2018Updated 7 years ago
- Modules in Matlab to implement the Numerical Renormalization Group technique.☆17Oct 1, 2020Updated 5 years ago
- This repository contains teaching material for the Nuclear Structure course at Michigan State University. The link here gives access to t…☆15Jul 10, 2021Updated 4 years ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 12 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- MPI parallelization for PySCF☆34Nov 1, 2024Updated last year
- Tutorial for the Taipei Density Matrix Renormalization Group School☆17Dec 9, 2012Updated 13 years ago
- Updated version of ADT Tools with simplified user interface and enhanced functions.☆22Oct 19, 2020Updated 5 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 4 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆46Sep 11, 2025Updated 5 months ago
- Repository for all summer program related programs☆47Aug 11, 2025Updated 6 months ago
- A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the …☆16Mar 19, 2020Updated 5 years ago
- I can't believe it's NonAbelian!☆31Jan 5, 2026Updated last month
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆86Jun 8, 2024Updated last year
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 2 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆63Updated this week
- Brilliantly Advanced General Electronic-structure Library☆119Mar 31, 2025Updated 11 months ago
- Python implementation of the DMRG algorithm for the Taipei DMRG Winter School☆57Dec 6, 2012Updated 13 years ago
- ☆26Oct 2, 2018Updated 7 years ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆68Dec 29, 2025Updated 2 months ago
- Domain specific library for electronic structure calculations☆164Updated this week
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆71Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 2 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Aug 21, 2024Updated last year
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Dec 31, 2025Updated 2 months ago
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆379Updated this week