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Calculation of the Lowest Resonance 1S State of H− Ion by Complex Absorbing Potential Method.

Authors :
Adamson, S. O.
Kharlampidi, D. D.
Golubkov, G. V.
Dyakov, Yu. A.
Morozov, I. I.
Shestakov, D. V.
Golubkov, M. G.
Source :
Russian Journal of Physical Chemistry B: Focus on Physics; 2020, Vol. 14 Issue 5, p742-751, 10p
Publication Year :
2020

Abstract

The example of the lowest <superscript>1</superscript>S resonance of the H<superscript>–</superscript> anion demonstrates that the resonance energy and its width calculated by way of finding the optimal point using the method of the complex absorbing potential has a systematic error, whose magnitude depends on the parameters of the absorbing potential and on the approximation used to solve the Schrödinger equation. It is shown that the accuracy of the calculation of resonance parameters can be improved if you replace finding the optimal point with averaging over the trajectory closure interval. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
19907931
Volume :
14
Issue :
5
Database :
Complementary Index
Journal :
Russian Journal of Physical Chemistry B: Focus on Physics
Publication Type :
Academic Journal
Accession number :
147179040
Full Text :
https://doi.org/10.1134/S1990793120050164