Density-functional study of the metallic state of trans-polyacetylene

Keyphrases

• Dimerization 100%
• Metallic State 100%
• Trans-polyacetylene 100%
• Density Functional Study 100%
• Total Energy 50%
• High Doping 50%
• Density Functional Calculations 50%
• Double Bond 50%
• Doping Level 50%
• Local Density Approximation 50%
• Brillouin Zone Boundary 50%
• Electron Density Difference 50%
• Electron Holes 50%
• Electron States 50%
• Single Bond 50%

INIS

• dimerization 100%
• density functional method 100%
• polyacetylenes 100%
• levels 50%
• density 50%
• energy 50%
• concentration 50%
• approximations 50%
• electrons 50%
• units 50%
• electron density 50%
• double bonds 50%
• brillouin zones 50%
• electron holes 50%

Chemistry

• Density Functional Theory 100%
• Polyacetylene Polymer 100%
• Dimerization 100%
• Doping 100%
• Local-Density Approximation 50%
• Hole (Electron) 50%
• Single Bond 50%
• Electron Density 50%
• Double Bond 50%
• Brillouin Zone 50%