fevangelista / Quantum-Chemistry-Foundations
☆10Updated last month
Alternatives and similar repositories for Quantum-Chemistry-Foundations:
Users that are interested in Quantum-Chemistry-Foundations are comparing it to the libraries listed below
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Coupled-cluster package written in Python.☆37Updated 3 weeks ago
- An example to implement PBC SCF☆13Updated 6 years ago
- Hartree-Fock Python☆17Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 3 weeks ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Correlation consistent Gaussian basis sets for solids☆22Updated 9 months ago
- MRH's research code☆21Updated this week
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 8 months ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- adcc: Seamlessly connect your program to ADC☆33Updated this week
- An open source program for the description of metastable electronic states in molecules.☆21Updated 4 months ago
- QMC=Chem version 2☆19Updated 2 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆33Updated 2 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 7 months ago
- TREX I/O library☆49Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- n2v: Density-to-potential Inversion Suite☆22Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆30Updated 7 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated this week
- GMTKN test sets in python☆10Updated 3 years ago
- Tutorials showcasing various capabilities of Libra☆21Updated 6 months ago
- ☆55Updated this week