Electronic states of an infinite polyene under local perturbations
A perturbation theory method is developed in the tight-binding LCAO MO treatment of a one-dimensional polymer under local perturbation with the aid of the Wannier function. As the first step, electronic states of an infinite polyene under a few of significant cases of perturbation are formulated in the scheme of the Huckel MO approach, giving the changes in total energies, electron densities, and bond orders of the perturbed systems..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
1977 |
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| Erschienen: |
1977 |
| Reproduktion: |
Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 |
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| Enthalten in: |
Zur Gesamtaufnahme - volume:48 |
| Enthalten in: |
Chemical Physics Letters - 48(1977), 1, Seite 141-144 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Tanaka, K. [Sonstige Person] |
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| Links: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLEJ173910149 |
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| 245 | 1 | 0 | |a Electronic states of an infinite polyene under local perturbations |
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| 520 | |a A perturbation theory method is developed in the tight-binding LCAO MO treatment of a one-dimensional polymer under local perturbation with the aid of the Wannier function. As the first step, electronic states of an infinite polyene under a few of significant cases of perturbation are formulated in the scheme of the Huckel MO approach, giving the changes in total energies, electron densities, and bond orders of the perturbed systems. | ||
| 533 | |f Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 | ||
| 700 | 1 | |a Tanaka, K. |4 oth | |
| 700 | 1 | |a Yamabe, T. |4 oth | |
| 700 | 1 | |a Fukui, K. |4 oth | |
| 700 | 1 | |a Kato, H. |4 oth | |
| 773 | 0 | 8 | |i in |t Chemical Physics Letters |d Amsterdam : Elsevier |g 48(1977), 1, Seite 141-144 |w (DE-627)NLEJ17363009X |w (DE-600)1466293-0 |x 0009-2614 |7 nnns |
| 773 | 1 | 8 | |g volume:48 |g year:1977 |g number:1 |g pages:141-144 |
| 856 | 4 | 0 | |u http://linkinghub.elsevier.com/retrieve/pii/0009-2614(77)80234-0 |
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