Publikace ÚTF

Determination of Resonant State Parameters from Ab Initio Data by Artificial Neural Network and Statistical Pade Approximation

PICHL, L.; HORÁČEK, J.

Resonant states in electron molecule collisions mediate a variety of energy transfer processes in the plasma
edge region, such as vibrational excitation, dissociative recombination, dissociative attachment, associative detachment
etc. Here we show that the resonance parameters, in general difficult to obtain, can be computed from
standard bound-state ab initio data by means of analytical continuation in the coupling constant. The procedure
uses artificial neural network and statistical Pade approximation to extrapolate from the bound-state region to that
of the resonant state by varying the strength of the attractive potential term added. We present benchmark data
for the ethylene molecule and demonstrate a reasonable stability of the results over the quantum chemical basis
sets employed.
typ:article
journal:Plasma and Fusion Research: Regular Articles
volume:10
pages:3406049
year:2015
files:
pfr2015_10-3406049.pdf (294.94 kB)

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