CCL: Amsterdam Density Functional (ADF) software, version ADF2008
released
- From: Stan van Gisbergen <vangisbergen^^^scm.com>
- Subject: CCL: Amsterdam Density Functional (ADF) software, version
ADF2008 released
- Date: Fri, 10 Oct 2008 12:22:12 +0200
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