Application of a New Tight-Binding Method for Transition Metals: Manganese

Application of a new Tight-Binding method for transition metals: Manganese

A new tight-binding total energy method, which has been shown to accurately predict ground state properties of transition and noble metals, is applied to Manganese, the element with the most complex ground state structure among the d metals. We show that the tight-binding method correctly predicts the ground state structure of Mn, and offers some insight into the magnetic properties of this sta...

A new tight - binding total energy method for transition

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 energies. Unlike other quantitative TBTE mod...

A simple tight-binding model for the study of 4d transition metals under pressure

Recently we have developed a simple tight-binding (TB) model of transition metals in the region near the middle of the 4d-series tuned to mimic molybdenum. The energetic, structural and melting properties deriving from this model are quite close to those obtained in previous first-principles work on Mo. TB approaches, reasonably accurate but computationally less demanding than first-principles ...

solution of security constrained unit commitment problem by a new multi-objective optimization method

چکیده-پخش بار بهینه به عنوان یکی از ابزار زیر بنایی برای تحلیل سیستم های قدرت پیچیده ،برای مدت طولانی مورد بررسی قرار گرفته است.پخش بار بهینه توابع هدف یک سیستم قدرت از جمله تابع هزینه سوخت ،آلودگی ،تلفات را بهینه می کند،و هم زمان قیود سیستم قدرت را نیز برآورده می کند.در کلی ترین حالتopf یک مساله بهینه سازی غیر خطی ،غیر محدب،مقیاس بزرگ،و ایستا می باشد که می تواند شامل متغیرهای کنترلی پیوسته و گ...

Applications of a New Tight-Binding Total Energy Method