Alternatives and similar repositories for MCTDHF

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

• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 11 months ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 7 years ago
• ValeevGroup / SeQuant1
  SeQuant: second quantization toolkit
  ☆16Updated 2 years ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 2 months ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 8 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• xubwa / socutils
  ☆13Updated last month
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated 2 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• jlaaser / quantum-exercises
  In-Class/Active-Learning Exercises for Quantum Chemistry
  ☆17Updated 6 years ago
• UFParLab / aces4
  Parallel Computational Chemistry Application
  ☆18Updated 7 years ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated last week
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 3 weeks ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated last year
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆26Updated 5 months ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 3 weeks ago
• FermiQC / GaussianBasis.jl
  Package to handle integrals over Gaussian-type atomic orbitals.
  ☆29Updated last month
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆20Updated 3 weeks ago
• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆15Updated last year
• felipelewyee / PyNOF
  ☆14Updated last month
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆22Updated 5 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 6 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 6 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆28Updated last week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago