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Correlation Hamiltonian, Band Energy Gap and Long-Range Correlation Energies Calculations of Polyacetylene

โœ Scribed by Hua Zhao; Jian-Ying Wen


Book ID
106428746
Publisher
Springer
Year
2010
Tongue
English
Weight
277 KB
Volume
23
Category
Article
ISSN
0896-1107

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โœ David Bloor ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 279 KB

The experimental data pertaining to the electron band structure of polyethylene is reviewed. Best values for the valence bandwidth, the band gap and the separation of the vacuum level and the conduction band edge are obtain@. These are compared with the results of band structure calculations using a