Collision for Li^++He System.I.Potential Curves and Non-Adiabatic Coupling Matrix Elements

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概要

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• The potential curves and the not-adiabatic coupling matrix elements for theLi"-F-He collision system were computed. The SCF molecular orbitals wereconstructed with the CGTO atomic bases centered on each nucleus and thecenter of mass of two nuclei. The SCF and Cl calculations were done at variousintemuclear distances in the range of 0.1 - 25.0 a.u. The potential energies andthe wavefunctions were calculated with good approximation over whole inter-nuclear distance. The non-adiabatic coupling matrix elements were calculatedwith the tentative method in which the ETF are approximately taken into account.

• 社団法人日本物理学会の論文
• 1984-02-15

著者

• O-ohata Kiyosi

  College Of General Education Kyushu University

• YOSHIDA Junichi

  College of General Education,Kyushu University

• Yoshida Junichi

  College Of General Education Kyushu University

• O-ohata Kiyosi

  College of General Education,Kyushu University

関連論文

• Collision for Li^++He System.I.Potential Curves and Non-Adiabatic Coupling Matrix Elements
• Ab initio Calculation of the Potential Curves for the Reaction O^+H→O^H^+ and the Related Diabatic Coupling Matrix Elements
• Charge Transfer Reaction of O^+H→O^+H^+ in Low Energy Collision

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