Abstract
The vibrational spectrum of the ${\mathrm{C}}_{60}$ molecule is calculated using first-principles density-functional theory. Our approach is based on a combination of the all-electron local-density functional method with group-theoretical analysis. The calculated vibrational frequencies of the icosahedral ${\mathrm{C}}_{60}$ molecule are found to be in excellent agreement with the experimental data available from Raman, infrared, and neutron inelastic-scattering measurements.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
