Quantum Package
An open-source quantum-chemistry software
In the context of my PhD, I’m using and programming in Quantum Package, a Fortran programming environnement for wave function methods. You can find its documentation here.
Inside there are a significant amount of programs:
- SCF (RHF/ROHF)
- CIS
- CISD
- CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively)
- CCSD (RHF/ROHF)
- CCSD(T) (RHF/ROHF)
- Transcorrelated methods
- Orbital localization (Foster-Boys/Pipek-Mezey)
- Orbital optimization for CI wave functions
- …
Don’t hesitate to send me a message if you have any question about it.
