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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F15%3A10321696" target="_blank" >RIV/00216208:11320/15:10321696 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 thequantum chemical basis sets employed.

Název v anglickém jazyce

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

Popis výsledku anglicky

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 thequantum chemical basis sets employed.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BE - Teoretická fyzika

OECD FORD obor

—

Projekt

<a href="/cs/project/GAP203%2F12%2F0665" target="_blank" >GAP203/12/0665: Molekulární rezonance a jejich dynamika</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Plasma and Fusion Research

ISSN

1880-6821

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

26 May

Stát vydavatele periodika

JP - Japonsko

Počet stran výsledku

4

Strana od-do

—

Kód UT WoS článku

—

EID výsledku v databázi Scopus

—