David Tew Research Group

Department of Chemistry University of Oxford

We contribute to several electronic structure and quantum dynamics software projects, both collaborative and in-house.

  • TURBOMOLE: a commercially licensed but non-profit electronic structure program suite

  • DALTON: an open source (GNU LGPL) electronic structure program suite

  • DYNAMOL: an in-house quantum molecular dynamics and potential fitting program suite

  • SPECTRO: a program for computing ro-vibrational energies and spectroscopic constants using VPT2