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
- Mathematica modules for electronic structure calculations☆26Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆10Updated 5 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- An example to implement PBC SCF☆11Updated 6 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆33Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- Hartree-Fock Python☆17Updated last year
- Cornell-Holland Ab-initio Materials Package☆15Updated 2 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆13Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆29Updated 2 months ago
- Machine-learning quantum mechanics☆10Updated 4 years ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Quantum Chemistry Course @ BNU2021☆21Updated 2 years ago
- Pythonic electronic structure theory.☆12Updated this week
- SPMS table of pseudopotentials☆19Updated last year
- Draft for my book about implementing density functional theory☆18Updated 3 months ago
- ☆10Updated 4 years ago
- ☆16Updated last month
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated last week
- A Python package for wave function-based quantum embedding☆33Updated 2 weeks ago
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 4 months ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆10Updated 4 months ago