Calculation of Autocorrelation Functions Using the Dv-Xα Method for 14 Electron Diatomic Molecules

Kohjiro Kobayashi; Kosuke Suzuki; Hiroshi Sakurai

doi:10.4028/www.scientific.net/KEM.534.12

Paper Titles

Preface and Organizing Committees

X-Ray Magnetic Diffraction Experiment of Fe₃Pt Alloy in Order Phase
p.3

Effects of Interface Roughness and Lattice Strain on Perpendicular Magnetic Anisotropy in Co/Pd Multilayer
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Calculation of Autocorrelation Functions Using the Dv-Xα Method for 14 Electron Diatomic Molecules
p.12

One-Dimensional Long Range Order of Autocorrelation Functions for Polyethylene Type Clusters Using the DV-Xα Method
p.17

Synthesis of MnZn-Ferrite Using Coprecipitation Method
p.22

Synthesis of MnZn-Ferrite Using Sintering Aids
p.26

Electrical Conductivity of Li_2xZn_2-3xTi_1+xO₄ Crystal
p.31

Electrical Properties of DC-Sputtered Amorphous InGaZnO₄ Films
p.36

HomeKey Engineering MaterialsKey Engineering Materials Vol. 534Calculation of Autocorrelation Functions Using the...

Calculation of Autocorrelation Functions Using the Dv-Xα Method for 14 Electron Diatomic Molecules

Abstract:

sotropic and directional autocorrelation functions are calculated for 14 electron diatomic molecules, N₂, CO, and BF, using the DV-Xα method. In order to investigate the effect of chemical bonds for the molecules, directional autocorrelation functions parallel and perpendicular to the bond are investigated. The anisotropies of the directional autocorrelation functions of N₂ and CO are different from the anisotropy of BF, which has a wave shape.

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Key Engineering Materials (Volume 534)

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12-16

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.534.12

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Online since:

January 2013

Authors:

Kohjiro Kobayashi, Kosuke Suzuki, Hiroshi Sakurai

Keywords:

Autocorrelation Function, Compton Profile, Diatomic Molecule, DV-Xα Method

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