A New Method for Characterizing Single Parametric Model Potential

作     者：P.S.Vyas P.N.Gajjar B.Y.Thakore A.R.Jani 

作者机构：Department of PhysicsSardar Patel UniversityVallabh Vidyanagar 388 120GujaratIndia Department of PhysicsUniversity School of SciencesGujarat UniversityAhmedabad 380 009GujaratIndia 

出 版 物：《Communications in Theoretical Physics》 (理论物理通讯（英文版）)

年 卷 期：2008年第50卷第9期

页      面：763-766页

核心收录：

学科分类：0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：the DRS/SAP Programme of UGC New Delhi India 

主　　题：pseudopotential alkali metals interatomic force bulk modulus 

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.