Alternatives and similar repositories for RealtimePySCF

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

• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated 3 weeks ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated this week
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated last month
• xubwa / socutils
  ☆13Updated this week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 3 weeks ago
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆11Updated 4 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆29Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 4 months ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 2 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆15Updated 2 months ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 11 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆25Updated 2 weeks ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆23Updated last month
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated last month
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated 3 weeks ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆40Updated last month
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last month
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years 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
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 10 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated 2 years ago
• schuurman-group / graci
  General Reference Configuration Interaction package
  ☆14Updated 3 weeks ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆30Updated 2 years ago