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Calculation of DC Stark Resonances for the Ammonia Molecule.

Authors :
Pirkola, Patrik
Horbatsch, Marko
Source :
Molecules; Apr2024, Vol. 29 Issue 7, p1543, 16p
Publication Year :
2024

Abstract

A model potential previously developed for the ammonia molecule is treated in a single-center partial-wave approximation in analogy with a self-consistent field method developed by Moccia. The latter was used in a number of collision studies. The model potential is used to calculate DC Stark resonance parameters, i.e., resonance positions and shifts using the exterior complex scaling method for the radial coordinate. Three molecular valence orbitals are investigated for fields along the three Cartesian coordinates, i.e., along the molecular axis and in two perpendicular directions. The work extends previous work on the planar-geometry water molecule for which non-monotonic shifts were observed. We find such non-monotonic shifts for fields along the molecular axis. For perpendicular fields, we report the splitting of the 1 e orbitals into a fast- and a slow-ionizing orbital. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
14203049
Volume :
29
Issue :
7
Database :
Complementary Index
Journal :
Molecules
Publication Type :
Academic Journal
Accession number :
176597594
Full Text :
https://doi.org/10.3390/molecules29071543