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Advantages of complex scaling only the most diffuse basis functions in simultaneous description of both resonances and bound states
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SYSNO ASEP 0455199 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Advantages of complex scaling only the most diffuse basis functions in simultaneous description of both resonances and bound states Author(s) Landau, A. (IL)
Haritan, I. (IL)
Kaprálová-Žďánská, Petra Ruth (FZU-D) ORCID
Moiseyev, N. (IL)Source Title Molecular Physics. - : Taylor & Francis - ISSN 0026-8976
Roč. 113, 19-20 (2015), s. 3141-3146Number of pages 6 s. Language eng - English Country GB - United Kingdom Keywords resonance ; complex scaling ; non-Hermitian ; ab-initio Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LG13029 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Institutional support FZU-D - RVO:68378271 UT WOS 000362843200022 EID SCOPUS 84941702570 DOI 10.1080/00268976.2015.1080872 Annotation We demonstrate that using a mixed complex-scaled basis set, in which only diffuse functions are scaled, is an appropriate approach for simultaneous description of both bound and resonance atomic states, which can be accurately described even by relatively small basis sets. Using this method, complex scaling can be applied on molecular systems in order to find resonance states.
Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2016
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