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Solution of Vibronic Equations. Tunneling Splitting

  • Chapter
Vibronic Interactions in Molecules and Crystals

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 49))

Abstract

The evaluation of the energy spectrum and wave functions is the central problem of the theory of vibronic interactions. In the limiting cases of weak and strong vibronic coupling, this problem can approximately be solved analytically (Sects. 4.1–4.3), while in the general case, numerical solutions can be obtained (Sect. 4.4). Of special interest is the determination of the lowest vibronic levels, which, in the case of strong vibronic coupling, result from the tunneling of the system between the equivalent minima of the adiabatic potential (tunneling splitting). In some cases physical magnitudes determined by the electronic subsystem in only its ground state can be calculated by means of the so-called vibronic reduction factors without solving the vibronic problem (Sect. 4.7).

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  1. Department of Quantum Chemistry, Institute of Chemistry Academy of Sciences MoSSR, Grosul Street 3, SU-277028, Kishinev, USSR

    Professor Dr. Isaac B. Bersuker & Dr. Sci. Victor Z. Polinger

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  1. Professor Dr. Isaac B. Bersuker
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  2. Dr. Sci. Victor Z. Polinger
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  1. Department of Quantum Chemistry, Institute of Chemistry Academy of Sciences MoSSR, Grosul Street 3, SU-277028, Kishinev, USSR

    Isaac B. Bersuker  & Victor Z. Polinger  & 

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Bersuker, I.B., Polinger, V.Z. (1989). Solution of Vibronic Equations. Tunneling Splitting. In: Bersuker, I.B., Polinger, V.Z. (eds) Vibronic Interactions in Molecules and Crystals. Springer Series in Chemical Physics, vol 49. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-83479-0_4

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  • DOI: https://doi.org/10.1007/978-3-642-83479-0_4

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