Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem
Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem
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Publisher
Beijing: Science China Press
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Language
English
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Publisher
Beijing: Science China Press
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Contents
An accurate total energy calculation is essential in materials computation. To date, many tight-binding (TB) approaches based on parameterized hopping can produce electronic structures comparable to those obtained using first-principles calculations. However, TB approaches still have limited applicability for determining material properties derived...
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Full title
Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem
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TN_cdi_proquest_journals_2918595399
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2918595399
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ISSN
1674-7348
E-ISSN
1869-1927
DOI
10.1007/s11433-023-2200-x
