Calculation of the Lowest Resonant States of H− and Li by the Complex Absorbing Potential Method

• Published in: Atoms Vol. 9; no. 4; p. 72
• Main Authors: Adamson, Sergey O., Kharlampidi, Daria D., Dyakov, Yurii A., Golubkov, Gennady V., Golubkov, Maxim G.
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01-12-2021
• Subjects: Accuracy; complex absorbing potential; Eigenvalues; Initial conditions; optical potential; Parameterization; Resonance; resonance states; stabilization method; Systematic errors; Trajectory analysis; Trajectory optimization
• ISSN: 2218-2004; 2218-2004
• DOI: 10.3390/atoms9040072

The analysis of the features of the method of complex absorbing potential (CAP) is carried out for a single-channel problem with an explicit parameterization of the scattering matrix. It is shown that there can be several types of CAP trajectories depending on the choice of the initial conditions. In any case, the estimation of the resonance parameters from the position of the optimal trajectory point can lead to a systematic error or an ambiguous result. In special cases, the search for the optimal point can be replaced by the averaging over a closed section of the trajectory. The CAP trajectories constructed in the H− and Li resonance calculations correlate well with the model trajectories, which have a curl around the resonance. The averaging over a closed area of the trajectory leads to better estimates of the energy and width of the resonance in comparison with the technique of searching for the optimal point.