Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces

0370882 - ÚFCH JH 2013 RIV US eng M - Monography Chapter
Čurík, Roman - Horáček, J.
Introduction to numerical methods.
Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces. 1. Boca Raton: CRC Press, Taylor & Francis Group, 2012 - (Čársky, P.; Čurík, R.), s. 9-43. ISBN 978-1-4398-3910-2
R&D Projects: GA MŠMT OC09079; GA MŠMT(CZ) OC10046; GA ČR GA202/08/0631; GA ČR GAP208/11/0452
Institutional research plan: CEZ:AV0Z40400503
Keywords : numerical methods * theoretical chemistry * single-center expansion
Subject RIV: CF - Physical ; Theoretical Chemistry

The chapter presents an overview of numerical methods for calculations of cross sections for electron scattering by molecules. Since a large variety of methods reported in the literature precludes any attempt for a complete coverage, we deided for a selection of methods which have contributed greatly to the progress in this field, can be applied to molecular targets of general structure, and are intensively used at present. Obviously, the choice of methods, as well as our remarks on merits ans limitations of methods, is affected by our personal opinion and taste.
Permanent Link: http://hdl.handle.net/11104/0204558