Alternatives and similar repositories for qcmpodmrg

Users that are interested in qcmpodmrg are comparing it to the libraries listed below

• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 7 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆37Updated 2 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 2 months ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated last month
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• xubwa / socutils
  ☆13Updated 2 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 12 years ago
• YiHeXu517 / Kylin-V
  TD-DMRG and VHCI package
  ☆10Updated last month
• block-hczhai / pyblock3-preview
  pyblock3: an efficient python block-sparse tensor library
  ☆28Updated 2 weeks ago
• hungpham2017 / pDMET
  Density matrix embedding theory for periodic systems
  ☆18Updated 3 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated last year
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 6 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated this week
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 3 years ago
• sanshar / Dice
  ☆55Updated 2 months ago
• ValeevGroup / SeQuant1
  SeQuant: second quantization toolkit
  ☆16Updated 2 years ago
• rohkeaID / elk-w90-improved
  An interface for ELK-Wannier90 calculations
  ☆16Updated 4 years ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 8 months ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated 3 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated 3 months ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last month
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆18Updated 2 months ago
• sanshar / StackBlock
  ☆11Updated 4 years ago
• sanshar / VMC
  ☆19Updated 3 years ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆36Updated last year
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 3 months ago