A study of complex scaling transformation using the Wigner representation of wavefunctions

0359762 - ÚFCH JH 2012 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA AV ČR IAAX00100903; GA ČR GAP205/11/0571
Výzkumný záměr: CEZ:AV0Z40400503
Klíčová slova: Wigner representation * complex scaling transformation * wavefunctions
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 3.333, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0197479