fevangelista / Quantum-Chemistry-Foundations
☆10Updated 2 weeks 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
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Coupled-cluster package written in Python.☆35Updated this week
- Correlation consistent Gaussian basis sets for solids☆22Updated 8 months ago
- Hartree-Fock Python☆17Updated 2 years ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- An example to implement PBC SCF☆13Updated 6 years ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- QMC=Chem version 2☆19Updated last month
- MRH's research code☆21Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆24Updated 11 months ago
- adcc: Seamlessly connect your program to ADC☆32Updated this week
- Mathematica modules for electronic structure calculations☆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
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated 2 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆30Updated 6 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆34Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- ☆46Updated 4 months ago
- WEST code☆19Updated 2 months ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Repository for PseudopotentialLibrary.org website and database☆14Updated 6 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated 3 weeks ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated 3 months ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 2 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆18Updated last month