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A New Method for Characterizing Single Parametric Model Potential

A New Method for Characterizing Single Parametric Model Potential
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摘要 A novel approach of characterizing single parametric model potential is proposed by equating total pair wise force to zero. Our well-established single parametric model potential is characterized using the proposed idea and compared the obtained parameter with parameters computed by previously used approaches. Thus characterized pseudopotential is then tested to compute total energy of alkali metals. The results establish the reliability of proposed idea of making total pair wise force to zero in determining the parameter of the pseudopotential.
出处 《Communications in Theoretical Physics》 SCIE CAS CSCD 2008年第9期763-766,共4页 理论物理通讯(英文版)
基金 the DRS/SAP Programme of UGC,New Delhi,India
关键词 PSEUDOPOTENTIAL alkali metals interatomic force bulk modulus 碱金属 原子间力 容积系数 参数模型
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