Atomic-orbital expansion model for describing ion-atom collisions at intermediate and low energies

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In the description of inelastic processes in ion-atom collisions at moderate energies, the semiclassical close-coupling method is well established as the standard method. Ever since the pioneering work on H/sup +/ + H in the early 60's, the standard procedure is to expand the electronic wavefunction in terms of molecular orbitals (MO) or atomic orbitals (AO) for describing collisions at, respectively, low or intermediate velocities. It has been recognized since early days that traveling orbitals are needed in the expansions in order to represent the asymptotic states in the collisions correctly. While the adoption of such traveling orbitals presents no ... continued below

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Pages: 3

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Lin, C.D. & Fritsch, W. January 1, 1983.

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In the description of inelastic processes in ion-atom collisions at moderate energies, the semiclassical close-coupling method is well established as the standard method. Ever since the pioneering work on H/sup +/ + H in the early 60's, the standard procedure is to expand the electronic wavefunction in terms of molecular orbitals (MO) or atomic orbitals (AO) for describing collisions at, respectively, low or intermediate velocities. It has been recognized since early days that traveling orbitals are needed in the expansions in order to represent the asymptotic states in the collisions correctly. While the adoption of such traveling orbitals presents no conceptual difficulties for expansions using atomic orbitals, the situation for molecular orbitals is less clear. In recent years, various forms of traveling MO's have been proposed, but conflicting results for several well-studied systems have been reported.

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Pages: 3

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NTIS, PC A02/MF A01.

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  • US/Japanese cooperative seminar, Honolulu, HI, USA, 14 Mar 1983

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  • Other: DE83017553
  • Report No.: CONF-830390-1
  • Grant Number: AC02-79ER10514
  • Office of Scientific & Technical Information Report Number: 5811958
  • Archival Resource Key: ark:/67531/metadc1103875

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  • January 1, 1983

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  • Feb. 18, 2018, 3:59 p.m.

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  • March 27, 2018, 6:43 p.m.

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Lin, C.D. & Fritsch, W. Atomic-orbital expansion model for describing ion-atom collisions at intermediate and low energies, article, January 1, 1983; United States. (digital.library.unt.edu/ark:/67531/metadc1103875/: accessed December 11, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.