CCL: Amsterdam Density Functional (ADF) software, version ADF2008 released



 Sent to CCL by: Stan van Gisbergen [vangisbergen|-|scm.com]
 Dear CCL subscribers,
 
The Amsterdam Density Functional package (ADF) is a premium quality software package for quantum chemistry and materials science research using Density Functional Theory (DFT). ADF offers various spectroscopic properties and environment models for almost any molecule, and excels at transition metal and heavy element compounds.
 
Scientific Computing & Modelling N.V. (SCM) proudly announces the release of version ADF2008, including the following enhancements: * Improved geometry optimization and transition state search, now default
 * Dispersion-corrected GGA XC functionals (Grimme)
 
* For periodic structures in BAND: transition state search, numerical frequencies, ESR A-tensor and g-tensor, M06-L and TPSS forces, visualization of (partial) DOS * New COSMO-RS module: QM prediction of chemical engineering thermodynamics for fluids
 * DFTB module: fast density functional tight binding program
 * Ultrafast Bader AIM atomic properties
 * Magnetizability, polarizabilities at resonance
 
* Check the release notes for various other enhancements: http-:-// www.scm.com/Doc/Doc2008.01/Background/Updates/page1.html
 ADF2008 is available on Windows, Linux, Mac, and UNIX.
 
Download a free 30-day trial: http://www.scm.com/SCMForms/ TrialRequest.jsp or contact us for further information. Learn more about ADF2008 at the Fujitsu seminar (Cambridge, UK, 30 October): http://www.fqs.pl/seminars/2008-10-30
 Best regards, Stan van Gisbergen, on behalf of the SCM team.
 http://www.scm.com
 E-mail: info(-)scm.com