it Ab initio calculations of the dynamic response of beryllium

N.E. Maddocks; R.W. Godby; R.J. Needs

doi:10.1103/PhysRevB.49.8502

it Ab initio calculations of the dynamic response of beryllium

N.E. Maddocks, R.W. Godby, R.J. Needs

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	8502-8505
Number of pages	3
Journal	Physical Review B
Volume	49
Issue number	12
DOIs	https://doi.org/10.1103/PhysRevB.49.8502
Publication status	Published - 15 Mar 1994

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10.1103/PhysRevB.49.8502

Cite this

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title = "it Ab initio calculations of the dynamic response of beryllium",

abstract = "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.",

author = "N.E. Maddocks and R.W. Godby and R.J. Needs",

note = "{\textcopyright} 1994 American Physical Society.",

year = "1994",

month = mar,

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doi = "10.1103/PhysRevB.49.8502",

language = "English",

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journal = "Physical Review B",

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AU - Maddocks, N.E.

AU - Godby, R.W.

AU - Needs, R.J.

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Y1 - 1994/3/15

N2 - 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.

AB - 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.

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DO - 10.1103/PhysRevB.49.8502

M3 - Article

SN - 2469-9950

VL - 49

SP - 8502

EP - 8505

JO - Physical Review B

JF - Physical Review B

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ER -