Fitting of 3D Reaction Surface of Three-Atomic System in the Natural Collision Coordinates

A Gevorkyan; Геворкян Ашот; T Grigoryan; Григорян Тигран; M Nalbandyan; Налбандян Мисак; V Hovhannisyan; Оганнисян Вааг; G Nyman; Ньюман Гунар

Fitting of 3D Reaction Surface of Three-Atomic System in the Natural Collision Coordinates

Authors: Gevorkyan A¹, Grigoryan T¹, Nalbandyan M¹, Hovhannisyan V², Nyman G³
Affiliations:
1. Institute for Informatics and Automation Problems
2. Yerevan State University
3. G¨oteborg University
Issue: No 3.2 (2010)
Pages: 148-154
Section: Articles
URL: https://journals.rudn.ru/miph/article/view/8523

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Abstract

The objective of this investigation is to prove the possibility of representation of the 3 interaction between particles in various reacting three-body systems by analytical function with a set of adjusting parameters in natural collision coordinates. Realization of this idea implies the procedure of fitting 3 numerical data by 3 analytical function or more precisely, calculation of adjusting parameters in mentioned analytical function. In the work Levenberg Marquardt algorithm is used on the basis of which the numerical method is developed. The possibility of implementation of 3 fitting with the big accuracy, on the example of reaction + 2 is shown.

Keywords

nonlinear optimization, parallel computation, reaction surface of atom-diatom collision

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Vol 31, No 4 (2023)

Fitting of 3D Reaction Surface of Three-Atomic System in the Natural Collision Coordinates

Full Text

Abstract

Keywords

About the authors

A Gevorkyan

T Grigoryan

M Nalbandyan

V Hovhannisyan

G Nyman

References

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