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- Amsterdam_Density_Functional abstract "Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT). ADF was first developed in the early seventies by the group of E. J. Baerends from the Vrije Universiteit in Amsterdam, and by the group of T. Ziegler from the University of Calgary. Nowadays many other academic groups are contributing to the software. Scientific Computing & Modelling (SCM), a spin-off company from the Baerends group, coordinates the development and distribution of ADF since 1995. Together with the rise in popularity of DFT over the last decade, ADF has become a popular computational chemistry software package used in the industrial and academic research. ADF excels in spectroscopy, transition metals, and heavy elements problems. A periodic structure counterpart of ADF named BAND is available to study bulk crystals, polymers, and surfaces. The ADF computational chemistry package has expanded beyond DFT since 2010, with a GUI to Stewart's semi-empirical MOPAC code, a density-functional based tight binding (DFTB) module, a reactive force field module ReaxFF, and an implementation of Klamt's COSMO-RS method.".
- Amsterdam_Density_Functional genre Computational_chemistry.
- Amsterdam_Density_Functional latestReleaseVersion "2013.01d".
- Amsterdam_Density_Functional wikiPageExternalLink www.scm.com.
- Amsterdam_Density_Functional wikiPageExternalLink COSMO-RS.
- Amsterdam_Density_Functional wikiPageExternalLink DFTB.
- Amsterdam_Density_Functional wikiPageExternalLink ReaxFF.
- Amsterdam_Density_Functional wikiPageID "2385655".
- Amsterdam_Density_Functional wikiPageRevisionID "599781847".
- Amsterdam_Density_Functional developer "Scientific Computing & Modelling".
- Amsterdam_Density_Functional genre Computational_chemistry.
- Amsterdam_Density_Functional hasPhotoCollection Amsterdam_Density_Functional.
- Amsterdam_Density_Functional latestReleaseDate "January 2014".
- Amsterdam_Density_Functional latestReleaseVersion "1.73924064E8".
- Amsterdam_Density_Functional name "ADF Info".
- Amsterdam_Density_Functional operatingSystem "Linux, Unix-like operating systems, Microsoft Windows, Mac OS X".
- Amsterdam_Density_Functional website www.scm.com.
- Amsterdam_Density_Functional subject Category:Computational_chemistry_software.
- Amsterdam_Density_Functional subject Category:Density_functional_theory.
- Amsterdam_Density_Functional type Software.
- Amsterdam_Density_Functional type Work.
- Amsterdam_Density_Functional type CreativeWork.
- Amsterdam_Density_Functional type InformationEntity.
- Amsterdam_Density_Functional comment "Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT). ADF was first developed in the early seventies by the group of E. J. Baerends from the Vrije Universiteit in Amsterdam, and by the group of T. Ziegler from the University of Calgary. Nowadays many other academic groups are contributing to the software.".
- Amsterdam_Density_Functional label "Amsterdam Density Functional".
- Amsterdam_Density_Functional sameAs m.0788n7.
- Amsterdam_Density_Functional sameAs Q4748832.
- Amsterdam_Density_Functional sameAs Q4748832.
- Amsterdam_Density_Functional wasDerivedFrom Amsterdam_Density_Functional?oldid=599781847.
- Amsterdam_Density_Functional homepage www.scm.com.
- Amsterdam_Density_Functional isPrimaryTopicOf Amsterdam_Density_Functional.
- Amsterdam_Density_Functional name "ADF Info".