This is the first version of openLOWDIN quantum Chemistry software. This version features the following capabilities for the Any-Particle Molecular Orbital (APMO) approach:
- HF and UHF
- MP2
- Propagator theory 2nd and 3rd orders (several implementations)
- DFT Positron-electron:LDA, nuclear-electron:LDA
- CI (S, D, T, FCI)
- Non-orthogonal CI
- COSMO
Electronic only:
- DFT (LDA, GGA, Hybrid GGA)
Tools:
- Orbitals and densities analysis
- Interface to MOLDEN
- Formats fchk, and Gaussian cube