Method of local-scaling transformations and density functional theory in quantum chemistry. II. The procedure for reproducing a many-electron wave function from x-ray diffraction data on one-electron density |
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Authors: | Eugene S Kryachko Ivan Zh Petkov Mario V Stoitsov |
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Abstract: | The computational procedure for reconstructing a many-electron wave function on the basis of x-ray diffraction data of one-electron density is proposed within the method of local-scaling transformations. |
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