Program for simulating time evolution in quantum systems using the MCTDHF method.
☆17Nov 26, 2017Updated 8 years ago
Alternatives and similar repositories for MCTDHF
Users that are interested in MCTDHF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 11 months ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 9 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 4 months ago
- Fast computation of the Baker-Campbell-Hausdorff and similar series.☆14Nov 28, 2025Updated 10 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- MOHA: MOlecular HAmiltonian☆15May 31, 2026Updated 4 months ago
- C++ and Python library for Polarizable Embedding☆24Apr 27, 2026Updated 5 months ago
- Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates☆18Nov 13, 2021Updated 4 years ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- ☆13Aug 5, 2025Updated last year
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆12Sep 10, 2023Updated 3 years ago
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 5 years ago
- ☆14Jul 25, 2025Updated last year
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆11Dec 6, 2023Updated 2 years ago
- Python library for simulating open quantum systems with continuous bosonic environments☆12Sep 15, 2020Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Aug 4, 2026Updated 2 months ago
- Langevin and Hybrid Quantum Monte Carlo Simulations of Electron-Phonon Models☆14Aug 15, 2022Updated 4 years ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.☆27Jun 25, 2026Updated 3 months ago
- Library for the numerical simulation of open quantum systems.☆15Oct 5, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- MRH's research code☆34Updated this week
- Multi-collinear functional☆11Feb 12, 2026Updated 8 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 30, 2026Updated 2 weeks ago
- gammcor code☆12Sep 29, 2026Updated 2 weeks ago
- many-body perturbation theory without empty states☆13Jul 6, 2018Updated 8 years ago
- Fortran binding for ZeroMQ☆14Oct 31, 2022Updated 3 years ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆38Jul 1, 2026Updated 3 months ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR☆16Aug 27, 2026Updated last month
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- MultiResolution Chemistry☆45Sep 15, 2026Updated 3 weeks ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago