Dissociative recombination by frame transformation to Siegert pseudostates: A comparison with a numerically solvable model

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00506569" target="_blank" >RIV/61388955:_____/18:00506569 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11320/18:10377650

Result on the web

<a href="http://hdl.handle.net/11104/0297799" target="_blank" >http://hdl.handle.net/11104/0297799</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.97.022704" target="_blank" >10.1103/PhysRevA.97.022704</a>

Result language

angličtina

Original language name

Dissociative recombination by frame transformation to Siegert pseudostates: A comparison with a numerically solvable model

Original language description

We present a simple two-dimensional model of the indirect dissociative recombination process. The model has one electronic and one nuclear degree of freedom and it can be solved to high precision, without making any physically motivated approximations, by employing the exterior complex scaling method together with the finite-elements method and discrete variable representation. The approach is applied to solve a model for dissociative recombination of H-2(+) in the singlet ungerade channels, and the results serve as a benchmark to test validity of several physical approximations commonly used in the computational modeling of dissociative recombination for real molecular targets. The second, approximate, set of calculations employs a combination of multichannel quantum defect theory and frame transformation into a basis of Siegert pseudostates. The cross sections computed with the two methods are compared in detail for collision energies from 0 to 2 eV.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2018

Confidentiality

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

Name of the periodical

Physical Review A

ISSN

2469-9926

e-ISSN

—

Volume of the periodical

97

Issue of the periodical within the volume

2

Country of publishing house

US - UNITED STATES

Number of pages

12

Pages from-to

022704

UT code for WoS article

000424374600005

EID of the result in the Scopus database

2-s2.0-85042145661