000141641 001__ 141641
000141641 005__ 20181203021717.0
000141641 0247_ $$2doi$$a10.1103/PhysRevB.54.8913
000141641 022__ $$a0163-1829
000141641 02470 $$2ISI$$aA1996VM97600091
000141641 037__ $$aARTICLE
000141641 245__ $$aInterpretation of photoelectron spectra in Cu-n(-) clusters including thermal and final-state effects: The case of Cu-7(-)
000141641 260__ $$c1996
000141641 269__ $$a1996
000141641 336__ $$aJournal Articles
000141641 520__ $$aWe introduce an approach to investigate thermal effects on the photoelectron spectra of small clusters. By combining first-principles molecular dynamics and a simplified scheme to account for final-state relaxation effects, we obtain averaged excitation spectra at finite temperature. We apply our approach to the case of Cu-7(-), in which two isomers are found very close in energy at T = 0 K. At T = 400 K, the isomer of D-5h symmetry transforms into one of C-3v symmetry. This behavior is in accord with the observed photoelectron spectra in which the predominant features can be associated with the C-3v isomer. The averaged spectrum at T = 400 K for this isomer suggests that the splitting observed in the peak at lowest excitation energies is a thermal effect.
000141641 700__ $$aMassobrio, C.
000141641 700__ $$0241891$$aPasquarello, A.$$g109250
000141641 700__ $$aCar, R.
000141641 773__ $$j54$$k12$$q8913-8918$$tPhysical Review B
000141641 909C0 $$0252232$$pCSEA$$xU10186
000141641 909CO $$ooai:infoscience.tind.io:141641$$pSB$$particle
000141641 937__ $$aCSEA-ARTICLE-1996-003
000141641 970__ $$a190/CSEA
000141641 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000141641 980__ $$aARTICLE