Author:
Zhu Jun,Cheng Yan,Bai Yu -Lin,Chen Xiang -Rong
Abstract
A finite-difference pseudopotential density-functional theory in real space and the Langevin molecular dynamics annealing technique as well as the adiabatic time-dependent density functional theory within the time-dependent local density approximation (TDLDA) are applied to the descriptions of structures and optical absorption spectra of sulfur cluster S6. It is found that the ground-state structure of S6 belongs to either a boat-shaped C2v or chair-shaped D3d symmetry structure and the calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations. PACS Nos.: 31.15.Ew, 31.15.Qg, 36.40.c
Publisher
Canadian Science Publishing
Subject
General Physics and Astronomy
Cited by
1 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献