fevangelista / Quantum-Chemistry-FoundationsLinks
☆12Updated 11 months ago
Alternatives and similar repositories for Quantum-Chemistry-Foundations
Users that are interested in Quantum-Chemistry-Foundations are comparing it to the libraries listed below
Sorting:
- Python implementation of electronic structure theories for simulating spectroscopic properties☆19Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- Hartree-Fock Python☆20Updated 3 years ago
- A Python package for wave function-based quantum embedding☆37Updated 2 weeks ago
- Pythonic electronic structure theory.☆23Updated last week
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- Open Orbital Optimizer☆33Updated last week
- ☆45Updated last year
- MRH's research code☆25Updated last week
- Correlation consistent Gaussian basis sets for solids☆25Updated 8 months ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆23Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 3 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 2 weeks ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆36Updated 2 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 11 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19Updated 4 years ago
- ☆60Updated 7 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆45Updated 9 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- General Reference Configuration Interaction package☆14Updated 2 weeks ago
- An open source program for the description of metastable electronic states in molecules.☆23Updated 9 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 3 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- WEST code☆31Updated 6 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆56Updated 3 weeks ago