TY - JOUR
T1 - TDDFT calculation for photoabsorption spectra of Lin (n=2-11,20) clusters
AU - Hong, X. H.
AU - Wang, F.
PY - 2011/5/2
Y1 - 2011/5/2
N2 - The photoabsorption spectra have been calculated for Lin (n=2-11,20) clusters based on a real-space, real-time implementation of time-dependent density functional theory (TDDFT). The calculated results are in very good agreement with available experimental spectra. The photoabsorption spectra of two characteristic Li5 isomers are taken as a sample to give a good show of quantum size effect of metal clusters. Furthermore, the effect of packing and growth of Lin clusters on the photoabsorption spectra is discussed.
AB - The photoabsorption spectra have been calculated for Lin (n=2-11,20) clusters based on a real-space, real-time implementation of time-dependent density functional theory (TDDFT). The calculated results are in very good agreement with available experimental spectra. The photoabsorption spectra of two characteristic Li5 isomers are taken as a sample to give a good show of quantum size effect of metal clusters. Furthermore, the effect of packing and growth of Lin clusters on the photoabsorption spectra is discussed.
KW - Photoabsorption spectra
KW - Time-dependent density functional theory
UR - http://www.scopus.com/inward/record.url?scp=79954424599&partnerID=8YFLogxK
U2 - 10.1016/j.physleta.2011.03.048
DO - 10.1016/j.physleta.2011.03.048
M3 - Article
AN - SCOPUS:79954424599
SN - 0375-9601
VL - 375
SP - 1883
EP - 1888
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 18
ER -