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On alternant molecules with identical energy spectra: Isospectral molecules
Author(s) -
Tyutyulkov N.,
Dietz F.,
Olbrich G.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)62:2<167::aid-qua4>3.0.co;2-u
Subject(s) - isospectral , hamiltonian (control theory) , molecule , spectral line , hückel method , physics , electronic correlation , computational chemistry , quantum mechanics , chemistry , statistical physics , mathematical physics , mathematics , mathematical optimization , molecular orbital
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.