Theoretical X-Ray Photoelectron and Emission Spectra of C-, N-, and O-Containing Polymers by Density-Functional Theory Calculations using Model Molecules-Reference-Cited by-同舟云学术

Theoretical X-Ray Photoelectron and Emission Spectra of C-, N-, and O-Containing Polymers by Density-Functional Theory Calculations using Model Molecules

Published:2000-12 Issue:12 Volume:32 Page:1030-1037
ISSN:0032-3896
Container-title:Polymer Journal
language:
Short-container-title:Polym J

Author:

Shimada Shingo,Ida Tomonori,Endo Kazunaka,Suhara Masahiko,Kurmaev Ernst,Chong Delano P

Publisher

Springer Science and Business Media LLC

Subject

Materials Chemistry,Polymers and Plastics

Reference40 articles.

1. New algorithm for the optimization of geometries in local density functional theory

2. Statistical Exchange-Correlation in the Self-Consistent Field

3. Study of transition-state methods in the calculation of vertical ionization potentials by local density approximation

4. Accurate calculation of core-electron binding energies by the density-functional method

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