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

Kohjiro Kobayashi; Kosuke Suzuki; Hiroshi Sakurai

doi:10.4028/www.scientific.net/KEM.534.17

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
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HomeKey Engineering MaterialsKey Engineering Materials Vol. 534One-Dimensional Long Range Order of...

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

Abstract:

sotropic and directional autocorrelation functions have been calculated using the DV-Xα method on polyethylene type clusters to investigate the effect of its characteristic dimensionality of the wavefunctions. Directional autocorrelation functions are calculated along the c-axis, the direction of the long chain of carbon atoms, and along an axis perpendicular to it. The analysis of the molecular orbital dependence of the autocorrelation function reveals that the long range order along the c-axis can be enhanced as increasing the length of the cluster and the orbitals near the highest occupied molecular orbital have a key role for the one-dimensional order.

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Key Engineering Materials (Volume 534)

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17-21

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.534.17

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Online since:

January 2013

Authors:

Kohjiro Kobayashi, Kosuke Suzuki, Hiroshi Sakurai

Keywords:

Autocorrelation Function, Compton Profile, DV-Xα Method, Polyethylene

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