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PRODEN: A new program for calculating integrated projected populations
Authors:Dimitris K. Agrafiotis  Brian Tansy  Andrew Streitwieser
Abstract:
Two new computational methods for the evaluation and partitioning of projected, planar, and averaged slab electron densities, implemented in the program PRODEN, are presented. The new algorithms for the projection, demarcation, and integration of electron densities are described and evaluated in terms of speed and numerical accuracy. Integrated Projected Populations are analyzed and some of the advantages and limitations of the methods are discussed.
Keywords:
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