When finite becomes infinite: convergence properties of vibrational spectra of oligomer chains

Keyphrases

• Vibrational Spectra 100%
• Convergence Property 100%
• Carbon Atom 66%
• Conjugation 33%
• Number of Atoms 33%
• Computational Study 33%
• Conjugated System 33%
• Raman Spectra 33%
• Convergence Rate 33%
• Polyynes 33%
• Convergence Study 33%
• Slow Convergence 33%
• Polyethylene 33%
• Molecular Systems 33%
• Convergent Behavior 33%
• Solid-state Calculations 33%
• Trans-polyacetylene 33%
• Vibrational IR Spectra 33%
• Skeletal Motion 33%

Chemistry

• Vibrational Spectra 100%
• Oligomer 100%
• Carbon Atom 66%
• IR Spectrum 33%
• Polyacetylene Polymer 33%
• Raman Spectra 33%