Vibrational dynamics of large clusters from helium atom scattering: Calculations for Ar55

Journal of Chemical Physics

Volumn 106, Issue 22, 1997, Pages 9067-9077

  Schroder T ^a   Schinke, R ^a   Krohne, R ^a   Buck, U ^a  

^a MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; ATOMS; ELECTRON ENERGY LEVELS; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY TRANSFER; HELIUM; MASS SPECTROMETRY; QUANTUM THEORY; SCATTERING;

ARGON CLUSTERS; ATOMIC SCATTERING; CLASSICAL TRAJECTORY METHOD; TIME OF FLIGHT SPECTRA; ZERO POINT ENERGY;

MOLECULAR VIBRATIONS;

EID: 0031559357     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474011     Document Type: Article

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36. In order to compare with the classical energy transfer cross sections in Fig. 4 the quantum mechanical cross sections are broadened by ΔE=2 meV. As a result of this rather substantial broadening the differences between the two theories, which exist for the smaller scattering angles, are partly blurred. In the comparison with the experimental TOF spectra in Fig. 10, on the other hand, the width of the convolution was only 0.8 meV. This explains why the classical and the quantum mechanical results in Fig. 4 agree very well, although the agreement with experiment for intermediate angles is significantly better for the quantum mechanical data.