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☆22Updated last week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 6 months ago
- Draft for my book about implementing density functional theory☆20Updated 7 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- MOHA: MOlecular HAmiltonian☆15Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 5 months ago
- SeQuant: second quantization toolkit☆16Updated 3 years ago
- Unfolding of first-principle electronic band structure☆14Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- ☆14Updated 5 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 9 months ago
- Hartree-Fock Python☆20Updated 2 years ago
- ☆11Updated 5 years ago
- Donostia Natural Orbital Functional Software☆20Updated 3 weeks ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 4 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Updated 2 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Updated 7 years ago
- Natural-orbital Functional based on PySCF☆10Updated last year
- A general parser for VASP☆15Updated last week
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated last month
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Updated last year
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- Calculating electron-phonon couplings with DFTB.☆10Updated 2 months ago
- PRinceton Orbital-Free Electronic Structure Software☆30Updated 5 years ago