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On alternant molecules with identical energy spectra: Isospectral molecules (1997)

Tyutyulkov, N. ; Dietz, F. ; Olbrich, G.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 62 (1997), S. 167-169

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ISSN: 0020-7608

Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: It is shown that if a pair of alternant molecules are isospectral (they have identical energy spectra) in the topological - Hückel - approximation they are also isospectral, taking into account the electron correlation. The proof is given in the AMO approximation using a Hubbard Hamiltonian. © 1997 John Wiley & Sons, Inc.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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