Transferable basis sets of numerical atomic orbitals
نویسندگان
چکیده
منابع مشابه
On the Angular Independence of Sets of Atomic Orbitals*
The conditions under which a set of atomic orbitals becomes angularly independent are investigated for both atomic and molecular systems. How these results can be applied to various molecules is considered.
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.035108