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Single‐electron‐capture cross sections by alpha‐particles from ground state K (4 s ) and Rb(5 s ): A molecular‐state approach
Author(s) -
Kumar Anil,
Saha Bidhan C.,
Weatherford Charles A.
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)70:4/5<909::aid-qua36>3.0.co;2-t
Subject(s) - pseudopotential , atomic physics , wave function , electron , chemistry , ground state , basis (linear algebra) , atomic orbital , translation (biology) , molecular orbital , electron capture , physics , molecule , quantum mechanics , geometry , mathematics , biochemistry , messenger rna , gene
Cross sections for single‐electron capture by α‐particles from ground state K and Rb were calculated in the low‐to‐intermediate energy region by employing the molecular expansion method in the framework of impact parameter formulation. The colliding partners are treated as a pseudo‐one‐electron system and the technique of the pseudopotential is used to account for their mutual interactions. The molecular wave function of the quasimolecule formed during the collision is expanded in terms of basis sets of atomic orbitals on two centers. The resulting coupled equations are solved semiclassically where a straight‐line trajectory describes the relative motion of the two nuclei. The effect of electron translation is also suitably incorporated. The calculated cross sections, both total and partial, are presented and compared with the available experimental measurements. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 909–917, 1998