skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Time-dependent local-density approximation in real time

Journal Article · · Physical Review, B: Condensed Matter
 [1];  [2]
  1. Department of Physics, Niigata University, Niigata (Japan)
  2. Physics Department and Institute for Nuclear Theory, University of Washington, Seattle, Washington 98195 (United States)

We study the dipole response of atomic clusters by solving the equations of the time-dependent local-density approximation in real time. The method appears to be more efficient than matrix or Green{close_quote}s function methods for large clusters modeled with realistic ionic pseudopotentials. As applications of the method, we exhibit results for sodium and lithium clusters and for C{sub 60} molecules. The calculated Mie resonance in Na{sub 147} is practically identical to that obtained in the jellium approximation, leaving the origin of the redshift unresolved. The pseudopotential effects are strong in lithium and act to broaden the Mie resonance and give it a substantial redshift, confirming earlier studies. There is also a large broadening due to Landau damping in the calculated C{sub 60} response, again confirming earlier studies. {copyright} {ital 1996 The American Physical Society.}

Research Organization:
Univ. of Washington, Seattle, WA (United States)
DOE Contract Number:
FG06-90ER40561
OSTI ID:
286716
Journal Information:
Physical Review, B: Condensed Matter, Vol. 54, Issue 7; Other Information: PBD: Aug 1996
Country of Publication:
United States
Language:
English

Similar Records

Time-dependent local-density approximation in real time: Application to conjugated molecules
Journal Article · Tue Oct 05 00:00:00 EDT 1999 · International Journal of Quantum Chemistry · OSTI ID:286716

Theoretical models for the optical properties of clusters and nanostructures
Journal Article · Sat Sep 20 00:00:00 EDT 1997 · International Journal of Modern Physics B · OSTI ID:286716

The time-dependent local density approximation for collective excitations of atomic clusters
Journal Article · Sun Jun 01 00:00:00 EDT 1997 · AIP Conference Proceedings · OSTI ID:286716