No CrossRef data available.
Article contents
Excitation Spectra in the Time-Dependent Density-Functional Theory with Gradient Correction
Published online by Cambridge University Press: 15 February 2011
Abstract
We study tile optical absorption spectra of Na clusters using the time-dependent density-functional theory with gradient correction. A jellium-sphere background model, which is free from basis-set incompleteness error and is suitable for the comparison of various theoretical methods, is adopted. For energies of surface-plasinon excitations governing profiles of photoabsorption spectra with huge oscillator strengths., the gradient correction by van Leeiiwen and Baerends with correct asymptotic behavior of the effective potential is found to show considerable improvement over the time-dependent local-density approximation.
- Type
- Research Article
- Information
- Copyright
- Copyright © Materials Research Society 2000