A new method for the calculation of the electronic coupling matrix element for electron transfer processes is introduced and results for several systems are presented. The method can be applied to ground and excited state systems and can be used in cases where several states interact strongly. Withi
Automatic generation of analytical matrix elements for electron-atom scattering
โ Scribed by E.J. Mansky; M.R. Flannery
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 759 KB
- Volume
- 88
- Category
- Article
- ISSN
- 0010-4655
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โฆ Synopsis
A code which can be used to automatically generate entire sets of analytical matrix elements of the instantaneous electrostatic interaction potential between the projectile electron and the target atom is described. The code can be used at present for both hydrogen and helium target atoms. In the case of hydrogen, the present code v i j generalizes and extends an earlier code of Jamison [1]; while in the case of helium, Hartree-Fock frozen-core wave-functions are used to represent the two-electron wavefunctions. When an entire set of matrix elements is generated, a complete set of FORTRAN subroutines is produced which can be directly incorporated into the code M E T c r o s s used to solve the multichannel eikonal theory (see accompanying paper). A principal application of the code v i j is to aid the elucidation of the systematic trends observed in transitions among metastable states in electron-atom collisions by studying the functional form of the underlying interaction matrix elements.
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