Penning ionization widths by Fano-algebraic diagrammatic construction method
File(s)Penning_Fano_ADC_accepted.pdf (191.48 KB)
Accepted version
Author(s)
Yun, Renjie
Narevicius, Edvardas
Averbukh, Vitali
Type
Journal Article
Abstract
We present an ab initio theory and computational method for Penning ionization widths. Our method is based on the Fano theory of resonances, algebraic diagrammatic construction (ADC) scheme for many-electron systems, and Stieltjes imaging procedure. It includes an extension of the Fano-ADC scheme [V. Averbukh and L. S. Cederbaum, J. Chem. Phys. 123, 204107 (2005)] to triplet excited states. Penning ionization widths of various He*-H2states are calculated as a function of the distance R between He* and H2. We analyze the asymptotic (large-R) dependences of the Penning widths in the region where the well-established electron transfer mechanism of the decay is suppressed by the multipole- and/or spin-forbidden energy transfer. The R-12and R-8power laws are derived for the asymptotes of the Penning widths of the singlet and triplet excited states of He*(1s2s1,3S), respectively. We show that the electron transfer mechanism dominates Penning ionization of He*(1s2s3S)-H2up until the He*-H2separation is large enough for the radiative decay of He* to become the dominant channel. The same mechanism also dominates the ionization of He*(1s2s1S)-H2when R < 5 Å. We estimate that the regime of energy transfer in the He*-H2Penning ionization cannot be reached by approaching zero collisional temperature. However, the multipole-forbidden energy transfer mechanism can become important for Penning ionization in doped helium droplets.
Date Issued
2018-03-15
Date Acceptance
2018-02-19
Citation
Journal of Chemical Physics, 2018, 148 (11)
ISSN
0021-9606
Publisher
AIP Publishing
Journal / Book Title
Journal of Chemical Physics
Volume
148
Issue
11
Copyright Statement
This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The article appeared in The Journal of chemical Physics and may be found at https://dx.doi.org/10.1063/1.4999753.
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/29566533
Grant Number
EP/I032517/1
Subjects
02 Physical Sciences
03 Chemical Sciences
09 Engineering
Chemical Physics
Publication Status
Published
Coverage Spatial
United States
Article Number
ARTN 114101