Phase Diagrams of LiCl-NdCl<sub>3</sub>, NaCl-NdC<sub>3</sub>, and CaCl<sub>2</sub>-NdCl<sub>3</sub> Systems
نویسندگان
چکیده
منابع مشابه
Ab initio Hartree - Fock Born effective charges of LiH , LiF , LiCl , NaF , and NaCl
We use the Berry-phase-based theory of macroscopic polarization of dielectric crystals formulated in terms of Wannier functions, and state-of-the-art Gaussian basis functions, to obtain benchmark ab initio Hartree-Fock values of the Born effective charges of ionic compounds LiH, LiF, LiCl, NaF, and NaCl. We find excellent agreement with the experimental values for all the compounds except LiCl ...
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ژورنال
عنوان ژورنال: Denki Kagaku oyobi Kogyo Butsuri Kagaku
سال: 1990
ISSN: 0366-9297,2434-2556
DOI: 10.5796/kogyobutsurikagaku.58.469