Teukolsky S. A. / Oxford University Press / Cambridge University Press / Hess / Wiley Periodicals Inc. / / /
Facility
University of Texas / Loughborough University / /
IndustryTerm
atomic energy / reported algorithms / improved algorithm / analytical solution / trilinear algorithm / grid-based algorithm / double-counting energy / early algorithm / chemical system / octal tree search algorithm / energy partitioning scheme / simpler algorithms / earlier algorithm / integration algorithm / double counting energy / band energy / cubic interpolation algorithm / larger systems / energy / /
Organization
Cambridge University / University of Texas at Austin / Loughborough University / Department of Chemistry and Biochemistry / Oxford University / Department of Mathematical Sciences / /
Person
STEVEN D. KENNY / Richard Bader / Determine / Plato Bader / EDWARD SANVILLE / Go / /
Product
Ammonia N / /
ProvinceOrState
South Dakota / New York / /
PublishedMedium
Journal of Computational Chemistry / /
Technology
earlier algorithm / reported algorithm / following algorithm / Charge Integration Algorithm / early algorithm / octal tree search algorithm / two simpler algorithms / cubic interpolation algorithm / previously reported algorithms / surface.7 Another algorithm / integration algorithms / 2.5 Ghz PowerPC G5 processor / Computational Chemistry / this grid-based algorithm / grid-based algorithm / improved algorithm / Computational Chemistry DOI 10.1002/jcc Grid-Based Algorithm / integration algorithm / /
Improved Grid-Based Algorithm for Bader Charge Allocation EDWARD SANVILLE,1* STEVEN D. KENNY,1 ROGER SMITH,1 GRAEME HENKELMAN2 1 Department of Mathematical Sciences, Loughborough University,