NEW CRITERIA FOR THE SELECTION OF EXCHANGE AND CORRELATION FUNCTION

被引：0
|
作者：
Baria, J. K. [1 ]
Jani, A. R. [2 ]
机构：
[1] VP & RPTP Sci Coll, Vallabh Vidyanagar 388120, Gujarat, India
[2] Sardar Patel Univ, Dept Phys, Vallabh Vidyanagar 388120, Gujarat, India
来源：
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES | 2010年 / 5卷 / 01期
关键词：
FCC Calcium; Phonon frequencies; Correlation function; Pseudopotential form factor; ELECTRON-GAS; METALLIC DENSITIES; PHONON FREQUENCIES; SCREENING FUNCTION; LATTICE-DYNAMICS; CA; SPECTRA; CALCIUM; FORM; SR;
D O I：
暂无
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
A model potential is proposed to calculate phonon frequencies of fcc Ca. A unique technique is suggested to determine the parameter of the potential and a new criterion for the selection of screening function is also suggested for the first time to incorporate the effect of exchange and correlation in the pseudopotential form factor. Excellent agreement is found between theoretical phonon dispersion curves and experimental findings.
引用
收藏
页码：23 / 27
页数：5
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