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A study of complex scaling transformation using the Wigner representation of wavefunctions
- 1.0359762 - ÚFCH JH 2012 RIV US eng J - Journal Article
Kaprálová-Žďánská, Petra Ruth
A study of complex scaling transformation using the Wigner representation of wavefunctions.
Journal of Chemical Physics. Roč. 134, č. 20 (2011), s. 204101. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA AV ČR IAAX00100903; GA ČR GAP205/11/0571
Institutional research plan: CEZ:AV0Z40400503
Keywords : Wigner representation * complex scaling transformation * wavefunctions
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.333, year: 2011
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.
Permanent Link: http://hdl.handle.net/11104/0197479
Number of the records: 1