sunqm / py-qc-bookLinks
☆33Updated 11 months ago
Alternatives and similar repositories for py-qc-book
Users that are interested in py-qc-book are comparing it to the libraries listed below
Sorting:
- ☆11Updated 6 months ago
- MRH's research code☆25Updated this week
- Coupled-cluster package written in Python.☆45Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- ☆94Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- ☆55Updated 2 months ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆65Updated last month
- adcc: Seamlessly connect your program to ADC☆37Updated last month
- ☆59Updated 2 months ago
- Repository for all summer program related programs☆46Updated last month
- ☆51Updated last week
- ☆37Updated 2 years ago
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- Quantum dynamics package based on tensor network states☆62Updated 3 weeks ago
- PRinceton Orbital-Free Electronic Structure Software☆30Updated 5 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆97Updated 6 months ago
- Hartree-Fock code written in full C++ standard☆28Updated last year
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆43Updated 3 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆39Updated last week
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago
- Automatic MR based on PySCF☆15Updated last month