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
相关论文
共 50 条
  • [31] The development of new exchange-correlation functionals
    Tozer, DJ
    Handy, NC
    JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (06): : 2545 - 2555
  • [32] STUDIES ON HERITABILITY CORRELATION AND DISCRIMINANT FUNCTION SELECTION IN JUTE
    SHUKLA, GK
    SINGH, DP
    INDIAN JOURNAL OF GENETICS AND PLANT BREEDING, 1967, 27 (02) : 220 - &
  • [33] Fast bandwidth selection for estimation of the pair correlation function
    Jalilian, Abdollah
    Waagepetersen, Rasmus
    JOURNAL OF STATISTICAL COMPUTATION AND SIMULATION, 2018, 88 (10) : 2001 - 2011
  • [34] Radiographic selection criteria: new guidelines, old challenges
    K. Horner
    British Dental Journal, 2013, 214 : 201 - 203
  • [35] New Subinterval Selection Criteria for Interval Global Optimization
    Tibor Csendes
    Journal of Global Optimization, 2001, 19 : 307 - 327
  • [36] Prioritisation criteria for the selection of new diagnostic technologies for evaluation
    Pluddemann, Annette
    Heneghan, Carl
    Thompson, Matthew
    Roberts, Nia
    Summerton, Nicholas
    Linden-Phillips, Luan
    Packer, Claire
    Price, Christopher P.
    BMC HEALTH SERVICES RESEARCH, 2010, 10
  • [37] Selection Criteria for Lung Transplantation: Controversies and New Developments
    Beeckmans, Hanne
    Bos, Saskia
    Vos, Robin
    SEMINARS IN RESPIRATORY AND CRITICAL CARE MEDICINE, 2021, 42 (03) : 329 - 345
  • [38] Identification of Location Selection Criteria for New Building Shipyards
    Saracoglu, Burak Omer
    Insel, Mustafa
    Helvacioglu, Ismail Hakki
    MARINE TECHNOLOGY AND SNAME NEWS, 2009, 46 (01): : 34 - 44
  • [39] Prioritisation criteria for the selection of new diagnostic technologies for evaluation
    Annette Plüddemann
    Carl Heneghan
    Matthew Thompson
    Nia Roberts
    Nicholas Summerton
    Luan Linden-Phillips
    Claire Packer
    Christopher P Price
    BMC Health Services Research, 10
  • [40] Employing graduates: Selection criteria and practice in New Zealand
    Edgar, Fiona
    Cathro, Virginia
    Harrison, Sean
    Hoek, Janneke
    McKenzie, Katherine
    Malcolm, Ngaire
    Polson, Sarah
    Porteous, Matthew
    Robertson, Samantha
    Shewan, Philippa
    Smart, Jessica
    Tyler-Baxter, Seamus
    JOURNAL OF MANAGEMENT & ORGANIZATION, 2013, 19 (03) : 338 - 351
12345