ELECTRONEGATIVITY: III. ORBITAL ELECTRONEGATIVITIES AND ELECTRON AFFINITIES OF TRANSITION METALS
نویسندگان
چکیده
منابع مشابه
Toward an orbital-free density functional theory of transition metals based on an electron density decomposition
To properly apply approximate kinetic energy density functionals (KEDFs) used in orbital-free density functional theory (OF-DFT) to the highly inhomogeneous electron density in transition metals, we introduce a decomposition scheme in which the electron density is partitioned into delocalized and localized parts, which makes it possible to apply a different physically justifiable KEDF to each d...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1963
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v63-183