{"slug": "v0-1-0-of-mqc-released", "title": "V0.1.0 of mqc released!", "summary": "Version 0.1.0 of mqc, a software package for many-body expansion calculations, has been released. The tool implements fragment-monomer to dimer, trimer, and tetramer coupling with truncation at trimers/tetramers, and includes methods using electrostatic embedding such as FMO and EE-MBE. The release captures most many-body effects while limiting computational cost.", "body_md": "Yes! it is here sorry haha I made a mistake there I wanted both links.\n\nThe idea is that you obtain them through the many body expansion, where you do fragment-monomers, and then you couple them to form dimers, trimers, tetramers. You truncate at a point where you’re confident you won’t affect the energy too much. Usually this is at trimers/tetramers. This captures most of the many-body effects.\n\nThere are methods (also coded up into mqc) that do it via electrostatic embedding (FMO, EE-MBE)", "url": "https://wpnews.pro/news/v0-1-0-of-mqc-released", "canonical_source": "https://fortran-lang.discourse.group/t/v0-1-0-of-mqc-released/11088#post_5", "published_at": "2026-09-10 05:18:39+00:00", "updated_at": "2026-09-10 05:53:46.711176+00:00", "lang": "en", "topics": ["developer-tools"], "entities": ["mqc", "FMO", "EE-MBE"], "alternates": {"html": "https://wpnews.pro/news/v0-1-0-of-mqc-released", "markdown": "https://wpnews.pro/news/v0-1-0-of-mqc-released.md", "text": "https://wpnews.pro/news/v0-1-0-of-mqc-released.txt", "jsonld": "https://wpnews.pro/news/v0-1-0-of-mqc-released.jsonld"}}