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 SM ISO690:2012CHIBOTARU, Liviu. One-centre-coordinate approach to the investigation of the Jahn-Teller effect in two-centre vibronic systems with common atoms. In: Chemical Physics Letters, 1992, vol. 195, pp. 109-114. ISSN 0009-2614. DOI: https://doi.org/10.1016/0009-2614(92)86121-W |
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  Chemical Physics Letters |
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| Volumul 195 / 1992 / ISSN 0009-2614 /ISSNe 1873-4448 | ||||||
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| DOI:https://doi.org/10.1016/0009-2614(92)86121-W | ||||||
| Pag. 109-114 | ||||||
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The adiabatic potential of a two-centre vibronic system with common atoms is investigated using one-centre symmetrized nuclear coordinates. In the framework of this approach the energy of the Jahn-Teller stabilization at the extrema points consists of the energies of stabilization of the Jahn-Teller distortions of individual centres and the energy of intercentre correlation of these distortions. This correlation is determined by the intercentre elastic interaction and, implicitly, by the coupling conditions imposed on the one-centre nuclear coordinates as a result of the presence of common atoms in the two-centre systems. Due to intercentre correlation, non-Jahn-Teller distortions of individual centres arise along with Jahn-Teller ones. |
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