Počet záznamů: 1

On the calculation of resonances by means of analytic continuation in coupling constant

  1. 1.
    0353953 - UFCH-W 2011 RIV GB eng J - Článek v odborném periodiku
    Horáček, J. - Paidarová, Ivana
    On the calculation of resonances by means of analytic continuation in coupling constant.
    Journal of Physics: Conference Series. Roč. 257, č. 1 (2010), 012002 E-ISSN 1742-6596
    Grant CEP: GA MŠk(CZ) LC06014; GA MŠk OC09079
    Výzkumný záměr: CEZ:AV0Z40400503
    Klíčová slova: electron collisions * Dissociation * coupling constant
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie

    The method of analytic continuation in the coupling constant in combination with the use of statistical Padé approximation designed to determine resonance parameters is introduced. It is shown that standard quantum chemistry codes provide accurate data which can be used for the process of analytic continuation in coupling constant. Resonance parameters, both the energy and the width, can be inferred for real molecules with accuracy comparable to other more elaborated methods.
    Trvalý link: http://hdl.handle.net/11104/0193055