cc-ats / qed-tddftView external linksLinks
Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
☆14May 13, 2025Updated 9 months ago
Alternatives and similar repositories for qed-tddft
Users that are interested in qed-tddft are comparing it to the libraries listed below
Sorting:
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jan 31, 2023Updated 3 years ago
- Numerical implementation of Berry curvature calculation for tight binding Hamiltonians☆15Sep 18, 2019Updated 6 years ago
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆40Mar 23, 2023Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 3 weeks ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆53Feb 4, 2026Updated last week
- 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
- User interface to perform quantum transport calculations with non equilibrium Green's functions☆13Aug 14, 2018Updated 7 years ago
- A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.☆23Sep 7, 2025Updated 5 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Two-Dimensional Finite Difference Hartree-Fock Program☆16Feb 14, 2025Updated last year
- Tight-binding calculations in Mathematica☆14Dec 18, 2025Updated last month
- Modelling simple atoms and 87Rb in cavity-QED.☆13Sep 19, 2022Updated 3 years ago
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆28Apr 13, 2023Updated 2 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- High-performance Qiskit features backed by Julia. A Python front end to algorithms using Pauli and Fermionic operators implemented in Jul…☆14Aug 7, 2022Updated 3 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year
- pyblock3: an efficient python block-sparse tensor library☆29Aug 8, 2025Updated 6 months ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated last month
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 3 years ago
- Demonstrate basic but typical physical properties of symmetry-protected non-trivial states in single-particle or mean-field level.☆14Mar 11, 2021Updated 4 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 2 months ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆18Jun 12, 2025Updated 8 months ago
- Fast computation of the Baker-Campbell-Hausdorff and similar series.☆13Nov 28, 2025Updated 2 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago