jeanwsr / S-O-MQC-HW
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
โ91Updated this week
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
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realizationโ60Updated 11 months ago
- ๐ Simple restricted Hartree-Fock code in Pythonโ36Updated 6 years ago
- Repository for all summer program related programsโ44Updated last year
- โ36Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integralsโ81Updated 8 months ago
- โ42Updated this week
- โ51Updated this week
- Quantum Chemistry Course @ BNU2021โ22Updated 2 years ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfacesโ69Updated 6 months ago
- Hartree-Fock code written in full C++ standardโ25Updated 9 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+โ40Updated 8 months ago
- Coupled-cluster package written in Python.โ37Updated last month
- Crawford's Quantum Chemistry Exercises by Python approachโ29Updated 2 years ago
- โ19Updated 2 weeks ago
- ๆถ้ไบไธไบ่ฎก็ฎๅๅญฆ็ธๅ ณ็ๆจ่่ตๆใโ17Updated last month
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of moleโฆโ71Updated 3 weeks ago
- Amateurish molecular electronic structure program.(for linux)โ22Updated 8 years ago
- adcc: Seamlessly connect your program to ADCโ33Updated this week
- โ24Updated 4 months ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulationsโ23Updated 2 weeks ago
- A program implementing the HartreeโFock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gausโฆโ55Updated 6 months ago
- 1D density functional theory code in Pythonโ126Updated last year
- HORTON: Helpful Open-source Research TOol for N-fermion systemsโ95Updated last week
- โ56Updated 2 months ago
- MRH's research codeโ21Updated this week
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulationโ18Updated 3 years ago
- Interactive tutorials for the PIMD Massive Open Online Courseโ22Updated last year
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)โ66Updated 2 months ago
- A repository for quantum chemistry basis setsโ164Updated 3 weeks ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.โ33Updated last week