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On the calculation of resonances by means of analytic continuation in coupling constant
- 1.0353953 - ÚFCH JH 2011 RIV GB eng J - Journal Article
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. ISSN 1742-6588. E-ISSN 1742-6596
R&D Projects: GA MŠMT(CZ) LC06014; GA MŠMT OC09079
Institutional research plan: CEZ:AV0Z40400503
Keywords : electron collisions * Dissociation * coupling constant
Subject RIV: CF - Physical ; Theoretical Chemistry
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.
Permanent Link: http://hdl.handle.net/11104/0193055
Number of the records: 1