Robert J. Harrison, George I. Fann, Takeshi Yanai, Martin Mohlenkamp, Fernando Perez and Gregory Beylkin
I will describe MADNESS, our new framework for multiresolution adaptive numerical scientific simulation, and its application to molecular electronic structure in three and six dimensions. Central to this sucess has been the development of separated representations for both functions and operators. Multiscale (sub-linear-scaling) direct computation of chemical energy differences will also be discussed.
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