Record

RefNoEC/2006/06
LevelItem
TitleBecke, Axel Dieter: certificate of election to the Royal Society
DescriptionCertificate of Election
CitationKohn-sham Density Functional Theory (DFT) is a widely used tool in computational chemistry today, delivering very reasonable accuracy at minimal cost. The popularity of DFT in chemistry is largely due to the work of Professor Becke. Through a creative combination of numerical, theoretical, and benchmarking efforts over a ten year period, Professor Becke improved the predictive power of DFT from typical errors of 30-40 kcal/mol to 1-2 kcal/mol on small molecular systems. The tremendous economy of DFT over previous computational techniques has significantly changed the landscape of computational chemistry. Problems in chemistry, biology and materials science of a scale heretofore unimaginable are now amenable to DFT computations.
AccessStatusClosed
Add to My Items

    Collection highlights

    Browse the records of some of our collections, which cover all branches of science and date from the 12th century onwards. These include the published works of Fellows of the Royal Society, personal papers of eminent scientists, letters and manuscripts sent to the Society or presented at meetings, and administrative records documenting the Society's activities since our foundation in 1660.

    The Royal Society

    The Royal Society is a Fellowship of many of
    the world's most eminent scientists and is the
    oldest scientific academy in continuous existence.
    Registered charity number 207043

    Website design ©CalmView



    CONTACT US

    + 44 207 451 2500
    (Lines open Mon-Fri, 9:00-17:00. Excludes bank holidays)

    6-9 Carlton House Terrace, London SW1Y 5AG

    Email Us →

    SUBSCRIBE

    Subscribe to our newsletters to be updated with the
    latest news on innovation, events, articles and reports.

    Subscribe →

    © CalmView