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

SYSNO ASEP	0353953
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve SCOPUS
Title	On the calculation of resonances by means of analytic continuation in coupling constant
Author(s)	Horáček, J. (CZ) Paidarová, Ivana (UFCH-W)_{RID, ORCID}
Source Title	Journal of Physics: Conference Series. - : Institute of Physics Publishing - ISSN 1742-6588 Roč. 257, č. 1 (2010), 012002
Number of pages	4 s.
Language	eng - English
Country	GB - United Kingdom
Keywords	electron collisions ; Dissociation ; coupling constant
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LC06014 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	OC09079 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
EID SCOPUS	79952407618
DOI	10.1088/1742-6596/257/1/012002
Annotation	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.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2011

Number of the records: 1