jeanwsr / S-O-MQC-HWLinks
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
☆94Updated 3 months ago
Alternatives and similar repositories for S-O-MQC-HW
Users that are interested in S-O-MQC-HW are comparing it to the libraries listed below
Sorting:
- ☆37Updated 2 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆62Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 11 months ago
- Hartree-Fock code written in full C++ standard☆28Updated last year
- ☆80Updated this week
- Repository for all summer program related programs☆45Updated 2 years ago
- ☆31Updated 8 months ago
- ☆19Updated 4 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆40Updated last week
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 3 months ago
- MRH's research code☆25Updated this week
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆41Updated last year
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆75Updated 3 weeks ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated 2 weeks ago
- ☆44Updated last week
- ☆59Updated 5 months ago
- ☆30Updated last year
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆35Updated last month
- 🎉 Simple restricted Hartree-Fock code in Python☆36Updated 6 years ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆72Updated last week
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆36Updated 6 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆40Updated this week
- ☆51Updated this week
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆18Updated 4 years ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆33Updated last week
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- ☆51Updated this week
- Interactive tutorials for the PIMD Massive Open Online Course☆23Updated last year