Abstract
A general first principles approach to the calculation of photoabsorption spectra of clusters at quantum and thermal fluctuations were discussed. The formulation relies on a combination of imaginary time ab initio path integral representation of the nuclear quantum motion and time-dependent density-functional theory for electronic excitations. It was suggested that the quantum fluctuations of cold lithium clusters affect significantly their photoabsorption spectra.
| Original language | English |
|---|---|
| Article number | 183401 |
| Pages (from-to) | 183401-1-183401-4 |
| Journal | Physical Review Letters |
| Volume | 92 |
| Issue number | 18 |
| DOIs | |
| State | Published - May 7 2004 |
| Externally published | Yes |
Funding
We thank G. Aloisio and R. Cingolani for support, ?>W. Domcke, H. Haberland, M. Rohlfing, A. Rubio, and V. Staemmler for help and discussions, as well as DFG, DAAD, and FCI for funding. The TD-DFT calculations were carried out at CACT/ISUFI.