Method for Rapid Convergence of Lattice Sums by the Use of Fourier Transforms
スポンサーリンク
概要
- 論文の詳細を見る
A general and practical technique is proposed for lattice sum of long-rangepair interaction potentials. As Ewald did, a pair potential is expressed by a sumof two terms ; the one is a function of a vector r in real crystal space and theother is that of a vector q in reciprocal space and these functions convergerapidly to zero as r +co and q -+co, respectively.The present method finds appropriate transforms by the use of usual mathemat-ical tables of Fourier transforms. For coulomb potential, the method derivesmany practical variations of the traditional Ewald transform. For pair potentialsdiscussed in the pseudopotential theory, the method gives transforms usefulfor rapid convergence of lattice sums. In addition the method gives a simpleestimation of errors in lattice sums due to cut-off at a finite term.
- 社団法人日本物理学会の論文
- 1984-05-15
著者
-
Sugiyama Akira
Department Of Electronic Engineering Mining College Akita University
-
Sugiyama Akira
Department Of Physics Cullege Of General Education Nagoya University
関連論文
- Extensive Oligonucleotide Microarray Transcriptome Analysis of the Rat Cerebral and Arachnoid Tissue
- Genomic Structure and Mapping of Human Orphan Receptor LXR Alpha : Upregulation of LXRa mRNA During Monocyte to Macrophage Differentiation
- EXAMINATION OF 4 CASES WHO UNDERWENT VALVE REPLACEMENT AFTER PTMC OF PTAV : Valvular Heart Disease : 53 Annual Scientific Meeting, Japanese Circulation Society
- Vector Mosquitoes of Japanese Encephalitis (Diptera: Culicidae) in Northern Thailand: Seasonal Changes in Larval Community Structure
- Undercooled Melt Formation by Melting of Metastable Eutectic Structure in Al_2O_3-Y_2O_3-ZrO_2 System
- Characterization of Arginine as a Receptor Component for Coliphage T2H and Regions for Production of Phage Virion
- Effect of Rice Plant Covering on the Density of Mosquito Larvae and Other Insects in Rice Fields
- Second- and Third-Harmonic Generation of Nd:Glass Laser in Fast Red ITR Organic Crystal Fiber : Waves, Optics and Quantum Electronics
- Production of Undercooled Melt by Heating the Metastable Al_2O_3-YAP Eutectic Structure
- Study of dE/dx in a Drift Chamber with He-C_2H_6 Gas Mixture
- Examination of T/CP Invariance in the e^+e^-τ^+τ^- Reaction
- Variable-Focus Liquid-Crystal Fresnel Lens
- Development of X-ray Imaging for Observing Solidification of Carbon Steels
- $c$-Axis Oriented Face-Centered-Tetragonal-FePt Nanoparticle Monolayer Formed on a Polycrystalline TiN Seed Layer
- Pseudopotential Theory for Interionic Interionic Interaction Potentials in Metals at Non-Zero Temperature. I. : Elementary Derivation of Asymptotic Expressions on Basis of Hilbert Transforms
- Method for Rapid Convergence of Lattice Sums by the Use of Fourier Transforms
- Theory of Interplanar Interaction in Metals of Close-Packed Structures on Free Electron Model
- Calculation of Stacking Fault Energy by Use of Long-Range Interionic Potential.II.Asymptotic Expansion for Interplanar Interaction