QUILD: QUantum-regions Interconnected by Local Descriptions

Authors

Marcel Swart, F. Matthias Bickelhaupt

Main publications

  • J. Comput. Chem. 2008, 29, 724-734:
    M. Swart and F.M. Bickelhaupt
    "QUILD: QUantum-regions Interconnected by Local Descriptions"
    [abstract] [supp.info]
  • Int. J. Quant. Chem. 2006, 106, 2536-2544:
    M. Swart and F.M. Bickelhaupt
    "Optimization of strong and weak coordinates"
    [abstract]

User manual

The manual for the updated 2009.01 version can be found here.

What's new in the 2009.01 version

A fully revised version is available with the 2009.01 release, which includes symmetry, frequencies, and many other things. All new features are described at the 2009-update page, and the latest user manual can be found here.

Availability

QUILD is available with ADF since the general 2007.01 release, see www.scm.com for further details.