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.
基金
the DRS/SAP Programme of UGC,New Delhi,India