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Showing 1 to 1 of 1 for “"Zero-point vibrations"”.
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Dynamical effects in crystalline solid state systems: theory of temperature dependent optical response of bulk gaAs and vibrational modification of C(111) 2 x 1 Surface in Comparison to Experiment
… explicitly for atomic motion due to thermal and zero-point vibration. The approach developed requires no direct treatment of time dependence in the quantum mechanical calculations, making the method widely applicable utilizing currently available electronic structure and ab-initio molecular …