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.
ASJC Scopus subject areas
- Physics and Astronomy(all)