title: Electronic structure and TDDFT optical absorption spectra of silver nanorods.
abstract: Density functional theory calculations are employed to determine optimized geometries and excitation spectra for small pentagonal silver nanorods Ag(n), with n = 13, 19, 25, 31, 37, 43, 49, 55, 61, and 67 in various charge states. The asymptotically correct SAOP functional is utilized in the excitation calculations. Silver nanorods exhibit a sharp longitudinal excitation that results from a mixture of orbital transitions; the wavelength for this excitation depends linearly on the length of the nanorod. The broad transverse excitation arises from multiple excited states. A particle-in-a-box model is employed to explain the linear dependence of the longitudinal excitation wavelength on nanorod length.
authors.affiliation: Department of Chemistry, Kansas State University, 213 CBC Building, Manhattan, Kansas 66506, USA.
authors.forename: Hannah E
authors.initials: HE
authors.lastname: Johnson
authors.forename: Christine M
authors.initials: CM
authors.lastname: Aikens