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A study of complex scaling transformation using the Wigner representation of wavefunctions
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SYSNO ASEP 0359762 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A study of complex scaling transformation using the Wigner representation of wavefunctions Author(s) Kaprálová-Žďánská, Petra Ruth (UFCH-W) RID Source Title Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606
Roč. 134, č. 20 (2011), s. 204101Number of pages 12 s. Language eng - English Country US - United States Keywords Wigner representation ; complex scaling transformation ; wavefunctions Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAAX00100903 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) GAP205/11/0571 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000291107900007 DOI 10.1063/1.3583816 Annotation The complex scaling operator exp(−θxp/ℏ), being a foundation of the complex scaling method for resonances, is studied in the Wigner phase-space representation. It is shown that the complex scaling operator behaves similarly to the squeezing operator, rotating and amplifying Wigner quasi-probability distributions of the respective wavefunctions. It is disclosed that the distorting effect of the complex scaling transformation is correlated with increased numerical errors of computed resonance energies and widths. The behavior of the numerical error is demonstrated for a computation of CO2 + vibronic resonances. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
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