A New Tight-binding Total Energy Method for Transition and Noble Metals Typeset Using Revt E X

Abstract

A new general tight-binding total energy (TBTE) method is presented that accurately predicts energy diierences caused by small perturbations such as those occurring in the evaluation of elastic constants and phonon spectra as well as energy diierences from large changes in structure such as structural energy diierences, equations of state, and defect… (More)

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