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Semi‐classical calculation of resonant states of a charged particle interacting with a metallic surface
Author(s) -
Zuluaga John Jairo,
Mahecha Jorge,
Chulkov Eugene
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200440062
Subject(s) - wave function , surface (topology) , autocorrelation , surface states , electron , fourier transform , atomic physics , physics , chemistry , quantum mechanics , molecular physics , mathematics , statistics , geometry
We assess the applicability of the semi‐classical approach of Herman–Kluk with filter diagonalization to determine resonant states of either the electron‐surface system or the ion‐surface system. An effective potential model of the interaction of an electron with a ruthenium metallic surface is used. The evolution of the wave‐function and the resonant states of this system are calculated. Analogous results for the interaction of the system formed by the H − and the ruthenium surface are presented. For the calculation of the resonances, the semi‐classical wave‐function is found, and the autocorrelation function between the initial and final wave‐functions is calculated, from which the position and width of the resonances are extracted by using the harmonic inversion by filter diagonalization. The results are compared with results available in the literature for similar models obtained by quantum calculations using fast Fourier Transform. The positions of the lower‐lying resonances found with the semi‐classical and quantum approaches match closely, while the values of the widths of the resonances show larger discrepancies. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)