3 results found Sort:

openmopac
mopac openmopac
33
140
apache-2.0
6
Molecular Orbital PACkage
quantum-chemistry electronic-structure semiempirical-methods molecular-orbital-theory
Created 2019-03-25
1,037 commits to main branch, last one 17 days ago
theochem
chemtools theochem
22
50
gpl-3.0
9
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
conceptual-dft density-matrices atoms-in-molecules population-analysis kinetic-energy-density molecular-orbital-theory
Created 2019-05-19
1,059 commits to master branch, last one 2 years ago
QC-Edu
IntroQM QC-Edu
4
37
other
3
Introduction to Quantum Mechanics for Chemists
hartree-fock hydrogen-atom particle-in-a-box quantum-chemistry quantum-mechanics harmonic-oscilator perturbation-theory schrodinger-equation molecular-orbital-theory density-functional-theory quantum-chemistry-methods
Created 2021-11-27
413 commits to master branch, last one 25 days ago