Ab initio study of the absorption spectra of Agn (n=5–8) clusters
作者： Vlasta Bonačić-Koutecky , Vincent Veyret , Roland Mitrić
DOI: 10.1063/1.1415077
关键词:
摘要: The absorption spectra of Ag5–8 have been determined in the framework linear response equation-of-motion coupled cluster method and related techniques employing 11-electron relativistic effective core potential. In these treatments electron correlation effects for 11 electrons per atom are included, providing an accurate description excited states silver clusters. calculations transition energies oscillator strengths carried out a large energy interval stable structures isomeric forms higher energy. This allowed us to investigate influence structural properties on spectroscopic patterns determine role d-electrons. Inclusion d-electrons treatment is mandatory obtain values energies, but excitations s-electrons primarily responsible patterns. They characterized by interference phenomena known molecular spectroscopy which lead s...
scitation.org
harvard.edu
aip.org 
sci-hub.se 参考文章(45)
David M. Rayner, Kalliopi Athanassenas, Bruce A. Collings, Steven A. Mitchell, Peter A. Hackett, Silver Clusters and Silver Cluster/Ammonia Complexes Theory of Atomic and Molecular Clusters. pp. 371- 395 ,(1999) , 10.1007/978-3-642-58389-6_16
Julius Jellinek, Theory of Atomic and Molecular Clusters: With a Glimpse at Experiments ,(2012)
S. Haupt, J. Kaller, D. Schooß, Photofragmentation of Ag4(N2)x +, x = 0—3: N2 binding energies European Physical Journal D. ,vol. 40, pp. 331- 333 ,(1997) , 10.1007/S004600050220
W. Schulze, G. Ertl, C. Félix, C. Sieber, W. Harbich, J. Buttet, I. Rabin, Fluorescence and excitation spectra of Ag4 in an argon matrix Chemical Physics Letters. ,vol. 313, pp. 105- 109 ,(1999) , 10.1016/S0009-2614(99)01034-9
L. Konig, I. Rabin, W. Schulze, G. Ertl, Chemiluminescence in the Agglomeration of Metal Clusters Science. ,vol. 274, pp. 1353- 1354 ,(1996) , 10.1126/SCIENCE.274.5291.1353
C. R. Chris Wang, Stuart Pollack, Tina A. Dahlseid, Geoffrey M. Koretsky, Manfred M. Kappes, Photodepletion probes of Na5, Na6, and Na7. Molecular dimensionality transition (2D→3D)? Journal of Chemical Physics. ,vol. 96, pp. 7931- 7937 ,(1992) , 10.1063/1.462345
V. Bonačić-Koutecký, M. Boiron, J. Pittner, P. Fantucci, J. Koutecký, Structural and optical properties of small oxygen-doped- and pure-silver clusters European Physical Journal D. ,vol. 9, pp. 183- 187 ,(1999) , 10.1007/S100530050423
C. R. Chris Wang, Stuart Pollack, Douglas Cameron, Manfred M. Kappes, Optical absorption spectroscopy of sodium clusters as measured by collinear molecular beam photodepletion Journal of Chemical Physics. ,vol. 93, pp. 3787- 3801 ,(1990) , 10.1063/1.458765
W. Harbich, S. Fedrigo, J. Buttet, The optical absorption spectra of small silver clusters (n=5–11) embedded in argon matrices Chemical Physics Letters. ,vol. 195, pp. 613- 617 ,(1992) , 10.1016/0009-2614(92)85572-R
Lynn A Peyser, Amy E Vinson, Andrew P Bartko, Robert M Dickson, Photoactivated Fluorescence from Individual Silver Nanoclusters Science. ,vol. 291, pp. 103- 106 ,(2001) , 10.1126/SCIENCE.291.5501.103