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Graphatom

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Link URL: http://www.wfu.edu/~natalie/s04phy345/graphatominfo.html
Link Details: Fortran 90 program by Natalie Holzwarth to calculate the electronic energy and density for an atom using density functional theory. For a specified atomic configuration, the optimal electronic wavefuncitions are calculated numerically. Designed for studen
Category: Top : Computers : Programming : Languages : Fortran : Source_Code : Chemistry
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Graphatom