TDDFT calculation for photoabsorption spectra of Lin (n=2-11,20) clusters

X. H. Hong; F. Wang

doi:10.1016/j.physleta.2011.03.048

TDDFT calculation for photoabsorption spectra of Li_n (n=2-11,20) clusters

X. H. Hong, F. Wang^*

^*Corresponding author for this work

School of Physics

Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Abstract

The photoabsorption spectra have been calculated for Li_n (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 Li_n clusters on the photoabsorption spectra is discussed.

Original language	English
Pages (from-to)	1883-1888
Number of pages	6
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	375
Issue number	18
DOIs	https://doi.org/10.1016/j.physleta.2011.03.048
Publication status	Published - 2 May 2011

Keywords

Photoabsorption spectra
Time-dependent density functional theory

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10.1016/j.physleta.2011.03.048

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title = "TDDFT calculation for photoabsorption spectra of Lin (n=2-11,20) clusters",

abstract = "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.",

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AU - Hong, X. H.

AU - Wang, F.

PY - 2011/5/2

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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

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SN - 0375-9601

VL - 375

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JF - Physics Letters, Section A: General, Atomic and Solid State Physics

IS - 18

ER -

TDDFT calculation for photoabsorption spectra of Li_n (n=2-11,20) clusters

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Keywords

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