jlaaser / quantum-exercisesLinks
In-Class/Active-Learning Exercises for Quantum Chemistry
☆17Updated 7 years ago
Alternatives and similar repositories for quantum-exercises
Users that are interested in quantum-exercises are comparing it to the libraries listed below
Sorting:
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆21Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 4 months ago
- MOHA: MOlecular HAmiltonian☆15Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Draft for my book about implementing density functional theory☆19Updated 5 months ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 4 years ago
- Hartree-Fock Python☆18Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 7 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- ☆27Updated 2 months ago
- Automatic equation of motion coupled cluster generator☆16Updated 2 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Updated 7 years ago
- ☆11Updated 4 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- Donostia Natural Orbital Functional Software☆20Updated 2 weeks ago
- ☆14Updated 3 months ago
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago
- Unfolding of first-principle electronic band structure☆14Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆38Updated 2 years ago
- Calculating electron-phonon couplings with DFTB.☆10Updated 2 weeks ago
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago