XI. Overcoming the Free‐Atom Bias with Modified Least‐Squares Formalisms
- 1 January 1977
- journal article
- research article
- Published by Wiley in Israel Journal of Chemistry
- Vol. 16 (2-3) , 159-162
- https://doi.org/10.1002/ijch.197700027
Abstract
Modified least‐squares formalisms ranging from high‐order refinement and spherical‐atom refinement with a variable radial dependence of the valence shell to refinement with atom‐centered multipole expansions are discussed.Keywords
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