A study of atomic orbital basis sets for doped silicon nanowires
نویسندگان
چکیده
منابع مشابه
Atomic Orbital Basis Sets for Molecular Interactions
In preparation for computational work with molecular orbitals written as linear combinaions of atomic orbitals, for first and second row atoms, we have developed a general procedure to parametrize linear combinations of Gaussian orbitals. We used a Gaussian transform, and a Gauss-Legendre quadrature, to express hydrogenic orbitals (with the correct long-range dependence for collisions) as contr...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2012
ISSN: 1742-6596
DOI: 10.1088/1742-6596/367/1/012003