Alternatives and similar repositories for pbchf

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

• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 4 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• sunqm / py-qc-book
  ☆32Updated 9 months ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated this week
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆24Updated last week
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated last week
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated last month
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 4 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆31Updated 3 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated last week
• west-code-development / West
  WEST code
  ☆21Updated 3 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆15Updated 3 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated 2 years ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆41Updated last month
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆37Updated last month
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 2 months ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆18Updated last month
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆34Updated 3 months ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆20Updated 3 months ago
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 4 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 5 months ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• sanshar / Dice
  ☆53Updated 3 weeks ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 2 months ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago