Abstract
The formalism of Colwell, Handy and Lee for the calculation of frequency-dependent properties using current density functional theory has been implemented using local, non-local or hybrid functionals. This theory has been applied to the calculation of frequency-dependent polarizabilities and dispersion coefficients in a variety of small molecules. The results obtained are in good agreement with experimental data. The effect of the terms which depend upon the current density is found to be small.
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.
