Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion (Q395285)
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scientific article; zbMATH DE number 6251717
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| English | Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion |
scientific article; zbMATH DE number 6251717 |
Statements
Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion (English)
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29 January 2014
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minimal basis set
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partial atomic charges
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molecule-intrinsic orbitals
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0.6294974684715271
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0.6167564392089844
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0.6106553673744202
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0.6096001267433167
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