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JOURNALS // Vestnik TVGU. Seriya: Prikladnaya Matematika [Herald of Tver State University. Series: Applied Mathematics] // Archive

Vestnik TVGU. Ser. Prikl. Matem. [Herald of Tver State University. Ser. Appl. Math.], 2008, Issue 10, Pages 47–64 (Mi vtpmk377)

MODELS OF NUMERICAL CALCULATIONS

Mathematical models and algorithms for analysis of ionization processes of helium atom and hydrogen molecules with variational functions

O. Chuluunbaatar

Joint Institute for Nuclear Research, Dubna, Moscow region

Abstract: Algorithms for calculations of the variational functions for ground state of helium atom slaved by Kato conditions, and wave function presented in product of two continuous spectrum Coulumb functions modified by second argument describing motion of ejected electron in the field of two Coulumb centers are presented. Calculations of differential ionization cross sections of helium atom and hydrogen ion by fast electron impact are compared with modern experiments. Originating of calculations multifold integrals with the above functions are reduced to triple integrals by means of Fourier transforms. Integrals kernel contains the hypergeometric functions ${}_2F_1(a,2;c,x)$, effective algorithm for their calculation is proposed.

Keywords: mathematical models, variational methods, algebraic eigenvalue problems, numerical algorithms, boundary problems, ionization processes of atoms and molecules by impact electrons.

UDC: 51-72, 530.145, 519.6

Received: 20.05.2008
Revised: 02.06.2008



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