Calculations of the spectral shifts and line profiles of alkaline earth atoms in liquid helium environment
| Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
|---|---|
| Data(s) |
05/11/2013
05/11/2013
2012
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| Resumo |
Liquid configurations generated by Metropolis Monte Carlo simulations are used in time-dependent density functional theory calculations of the spectral line shifts and line profiles of the lowest lying excitation of the alkaline earth atoms, Be, Mg, Ca, Sr and Ba embedded in liquid helium. The results are in very good agreement with the available experimental data. Special attention is given to the calculated spectroscopic shift and the associated line broadening. The analysis specifies the inhomogeneous broadening of the three separate contributions due to the splitting of the s -> p transition of the alkaline earth atom in the liquid environment. (C) 2012 Elsevier B. V. All rights reserved. FAPESP Department of Science and Technology, Govt. of India Department of Science and Technology, Govt. of India [SR/S2/LOP-22/2008] CNPq CAPES INCT-FCx NanoBionet |
| Identificador |
CHEMICAL PHYSICS LETTERS, AMSTERDAM, v. 533, n. 6, pp. 25-29, APR 23, 2012 0009-2614 http://www.producao.usp.br/handle/BDPI/41742 10.1016/j.cplett.2012.02.068 |
| Idioma(s) |
eng |
| Publicador |
ELSEVIER SCIENCE BV AMSTERDAM |
| Relação |
CHEMICAL PHYSICS LETTERS |
| Direitos |
closedAccess Copyright ELSEVIER SCIENCE BV |
| Palavras-Chave | #DENSITY-FUNCTIONAL CALCULATIONS #CARLO-QUANTUM-MECHANICS #SUPERFLUID-HELIUM #MONTE-CARLO #EXCITED-STATES #HE-II #SPECTROSCOPY #IMPURITIES #IONS #CONFIGURATION #CHEMISTRY, PHYSICAL #PHYSICS, ATOMIC, MOLECULAR & CHEMICAL |
| Tipo |
article original article publishedVersion |
