Abstract
An oscillator strength distribution of the fullerene C 60 molecule is calculated in the time-dependent density functional theory. A real-time method is employed to obtain the spectrum of a wide energy region extending up to 120 eV. The orbitals are expressed on the uniform grid points in the three-dimensional Cartesian coordinates inside a large cubic box area. The calculated distribution shows an intense peak centered at around 20 eV, accompanying a number of sharp structures on it up to 35 eV. Absolute values and gross features of the oscillator strength distribution are in reasonable agreement with 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.
