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  • Vibronic Interactions and the Jahn-Teller Effect

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    Series series Chemistry and Material Science (R0)
    The concepts of the Jahn-Teller effect and vibronic coupling are being applied to more and more systems in both chemistry and physics. Aspects of structural chemistry such as the distortion of the nuclear framework to a lower-symmetry conformation have received an increasing attention, as well as the dynamics on the coupled potential energy surfaces.The Jahn-Teller intersections are now recognized ... Read more

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    Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the ... Read more

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    Series series Chemistry and Material Science (R0)
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  • Symmetry Relationships between Crystal Structures

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