Recoil by Auger electrons: Theory and application

Journal Article · Wed Oct 28 00:00:00 EDT 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3250348· OSTI ID:21559798

Demekhin, Ph V ^[1]; Scheit, S ^[2]; Cederbaum, L S ^[3]

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1. Institut fuer Physik, Experimental-Physik IV, Universitaet Kassel, Heinrich-Plett-Str. 40, Kassel D-34132 (Germany)
2. Department of Basic Science, Graduate School of Arts and Sciences, University of Tokyo, Tokyo 153-8902 (Japan)
3. Theoretische Chemie, Physikalisch-Chemisches Institut, Universitaet Heidelberg, Im Neuenheimer Feld 229, Heidelberg D-69120 (Germany)

General equations accounting for the molecular dynamics induced by the recoil of a fast Auger electron are presented. The implications of the degree of localization of the molecular orbitals of diatomic molecules involved in the Auger decay are analyzed. It is shown that the direct and exchange terms of the Auger transition matrix element may give rise to opposite signs and hence to opposite directions of the recoil momenta transferred to the nuclear vibrational motion. Consequently, these terms have a different impact on the recoil-induced nuclear dynamics in the final Auger decay state. The developed theory is applied to study the influence of the recoil on the interatomic Coulombic decay (ICD) following the K-LL Auger decay of the Ne dimer. Our calculations illustrate a significant effect of the recoil of nuclei on the computed wave packets propagating on the potential energy curve populated by the Auger decay. The corresponding final states of the Auger process decay further by ICD. We show that the recoil momentum imparted onto the nuclei modifies the computed ICD spectra considerably.

• OSTI ID: 21559798
• Journal Information: Journal of Chemical Physics, Vol. 131, Issue 16; Other Information: DOI: 10.1063/1.3250348; (c) 2009 American Institute of Physics; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
73 NUCLEAR PHYSICS AND RADIATION PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACCOUNTING
AUGER EFFECT
DECAY
DIAGRAMS
ELECTRONS
EQUATIONS
MATRIX ELEMENTS
MOLECULAR DYNAMICS METHOD
MOLECULES
MOMENTUM TRANSFER
NEON
NUCLEI
POTENTIAL ENERGY
RECOILS
SPECTRA
VIBRATIONAL STATES
WAVE PACKETS
CALCULATION METHODS
ELEMENTARY PARTICLES
ELEMENTS
ENERGY
ENERGY LEVELS
EXCITED STATES
FERMIONS
FLUIDS
GASES
INFORMATION
LEPTONS
NONMETALS
RARE GASES