cc-ats / qed-tddft
Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
☆13Updated last year
Related projects ⓘ
Alternatives and complementary repositories for qed-tddft
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆33Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Mathematica modules for electronic structure calculations☆26Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- A library of density matrix embedding theory (DMET).☆30Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- WEST code☆18Updated 3 weeks ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Hartree-Fock Python☆17Updated last year
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- SPMS table of pseudopotentials☆19Updated last year
- An example to implement PBC SCF☆12Updated 6 years ago
- ☆9Updated last week
- Cornell-Holland Ab-initio Materials Package☆15Updated 3 months ago
- Pythonic electronic structure theory.☆12Updated this week
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆13Updated 5 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- Density matrix embedding theory for periodic systems☆16Updated 2 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Draft for my book about implementing density functional theory☆18Updated 4 months ago
- Machine-learning quantum mechanics☆10Updated 4 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Arbitrary order exchange-correlation functional derivatives using JAX.☆21Updated 4 years ago