AB-INITIO CALCULATIONS OF THE DYNAMIC-RESPONSE OF BERYLLIUM

被引：31
|
作者：
MADDOCKS, NE
GODBY, RW
NEEDS, RJ
机构：
[1] Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, Madingley Road
来源：
PHYSICAL REVIEW B | 1994年 / 49卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.49.8502
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present results from ab initio calculations of the full inverse dielectric matrix of beryllium, from which we obtain the dynamic scattering cross section. This is shown to be in excellent agreement with recent inelastic x-ray-scattering experiments, both in overall shape and in precise details of the fine structure. As the calculations have been performed entirely within the random-phase approximation, this presents conclusive evidence that band-structure effects are responsible for the observed structure.
引用
收藏
页码：8502 / 8505
页数：4
相关论文
共 50 条
  • [41] USE OF RESTRAINED GAUSSIAN BASES IN AB-INITIO CALCULATIONS
    JASPERS, S
    LEROY, G
    JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1972, 69 (06) : 951 - +
  • [42] SMALL GAUSSIAN BASIS SETS IN AB-INITIO CALCULATIONS
    JOHANSEN, H
    THEORETICA CHIMICA ACTA, 1971, 21 (01): : 9 - &
  • [43] AB-INITIO CALCULATIONS ON ETHYLENE AND FLUOROETHYLENE - COMPARATIVE STUDY
    MEZA, S
    WAHLGREN, U
    THEORETICA CHIMICA ACTA, 1971, 21 (04): : 323 - &
  • [44] THE PHOSPHORESCENCE OF BENZENE OBTAINED BY AB-INITIO AND SEMIEMPIRICAL CALCULATIONS
    KNUTS, S
    MINAEV, BF
    AGREN, H
    VAHTRAS, O
    THEORETICA CHIMICA ACTA, 1994, 87 (4-5): : 343 - 371
  • [45] Ab-initio total energy calculations on the AlBi compound
    Deligoz, E.
    Colakoglu, K.
    Ciftci, Y. O.
    SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION, 2007, 899 : 593 - 593
  • [46] Ab-initio calculations of CdS, CdSe and CdTe surfaces
    Vogel, Dirk
    Krueger, Peter
    Pollmann, Johannes
    Surface Science, 1998, 402-404 (1-3): : 774 - 777
  • [47] EXTENDED AB-INITIO CALCULATIONS ON CYCLOPROPANE, CYCLOPROPENE AND CYCLOPROPENONE
    SKANCKE, A
    JOURNAL OF MOLECULAR STRUCTURE, 1976, 30 (01) : 95 - 101
  • [48] AB-INITIO CALCULATIONS ON 1-IMIDAZOLYL RADICAL
    VANDERMEER, K
    MULDER, JJC
    CHEMICAL PHYSICS LETTERS, 1975, 34 (01) : 189 - 191
  • [49] AB-INITIO OPTIMIZED PSEUDOPOTENTIAL CALCULATIONS OF MAGNETIC SYSTEMS
    SASAKI, T
    RAPPE, AM
    LOUIE, SG
    PHYSICAL REVIEW B, 1995, 52 (17): : 12760 - 12765
  • [50] Ab-initio pseudopotential calculations of boron diffusion in silicon
    Windl, W
    Bunea, MM
    Stumpf, R
    Dunham, ST
    Masquelier, MP
    SI FRONT-END PROCESSING-PHYSICS AND TECHNOLOGY OF DOPANT-DEFECT INTERACTIONS, 1999, 568 : 91 - 96
12345