Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the H artree– F ock, K ohn– S ham, multiconfigurational self‐consistent‐field, M øller– P lesset, configuration‐interaction, and coupled‐cluster levels of theory. Apart from the total energy, a wid...
Research Assistant
AI chat, annotations, notes & similar papers
No comments yet
Be the first to share your thoughts!