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Variational band theory of vibronic polarons in crystals. III. Numerical calculations

M. Georgiev·A. G. Andreev·M. D. Ivanovich
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Abstract

In the preceding Part II, we derived variational equations for the phonon Fourier amplitudes and for the Fourier amplitudes of the fractional contribution of the electronic bands to the trial variational state. These equations are now solved by means of iterations for each value of the total momentum in order to obtain the energy vs. momentum relation for the ground state. Another result is mapping out the phonon and band Fourier amplitudes in the parameter space of the mixing constant and the electron hopping energy.

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M. Georgiev, A. G. Andreev, M. D. Ivanovich. 2006-02-06. Variational band theory of vibronic polarons in crystals. III. Numerical calculations. https://arxiv.org/abs/cond-mat/0602147

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