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Vibrationally inelastic electron scattering in a two-channel approximation
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SYSNO ASEP 0309726 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Vibrationally inelastic electron scattering in a two-channel approximation Title Vibrační neelastický elektronový rozptyl ve dvoukanálovém přiblížení Author(s) Čársky, Petr (UFCH-W) RID, ORCID
Čurík, Roman (UFCH-W) RID, ORCIDSource Title Journal of Physics B-Atomic Molecular and Optical Physics. - : Institute of Physics Publishing - ISSN 0953-4075
Roč. 41, č. 5 (2008), , , 055203-1-6Number of pages 6 s. Language eng - English Country GB - United Kingdom Keywords inelastic electron scattering ; two-channel approximation Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA100400501 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) 1ET400400413 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) KJB400400803 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) GA202/08/0631 GA ČR - Czech Science Foundation (CSF) ME 857 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000253547700012 DOI 10.1088/0953-4075/41/5/055203 Annotation We present an approximation and simplification of the two- channel approach to vibrational electron energy loss spectra, which reduces considerably computer memory requirements. Instead of operations with 2N x 2N matrices, the Lippmann - Schwinger equation is solved in two consecutive single- channel steps in which the size of all matrices is only N x N. The procedure was tested on water, methane and cyclopropane molecules for several electron energies in the range of 1 to 20 eV. For all vibrational modes, electron energies and scattering angles, the calculated differential and integral cross sections were in excellent agreement with those calculated by the rigorous two- channel procedure. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2009
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