Issue 11, 2024

Use of the dilated electron propagator in conjunction with the modified smooth exterior scaling method to characterize 2S Be+ (1s−1), 2S Ne+ (1s−1) Auger and 2P Be shape resonances

Abstract

The modified smooth exterior scaling (MSES) method is an efficient method to impose outgoing boundary conditions in electron–atom or electron–molecule scatterings. MSES can be used to convert divergent wave functions to square integrable ones. The electron propagator method in conjunction with MSES has been utilized to characterize 2S Be+ (1s−1), 2S Ne+ (1s−1) Auger and 2P Be shape resonances. The dilated electron propagator has been proved to be an efficient and powerful tool in characterizing the Auger and shape resonances. The resonance energies obtained by using this method are in good agreement with experimental results and other theoretical estimates available in the literature.

Graphical abstract: Use of the dilated electron propagator in conjunction with the modified smooth exterior scaling method to characterize 2S Be+ (1s−1), 2S Ne+ (1s−1) Auger and 2P Be− shape resonances

Article information

Article type
Paper
Submitted
23 Oct 2023
Accepted
08 Feb 2024
First published
13 Feb 2024

New J. Chem., 2024,48, 4772-4782

Use of the dilated electron propagator in conjunction with the modified smooth exterior scaling method to characterize 2S Be+ (1s−1), 2S Ne+ (1s−1) Auger and 2P Be shape resonances

M. Banuary, D. Kumar and A. K. Gupta, New J. Chem., 2024, 48, 4772 DOI: 10.1039/D3NJ04908F

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