Zelek S. Herman, Robert F. Kirchner, et al.
Inorganic Chemistry
The non-adiabatic treatment of vibrational motion in e_-molecule scattering typically involves a sum or integral over a complete set of vibrational functions, in general including a continuum. If all functions of the vibrational coordinate are defined by interpolation on a finite point set, they can be represented as linear combinations of basis functions that are Kronecker- delta functions on this point set- Here we introduce ‘spline-delta’ basis functions with this property, providing a discrete complete set for which intermediate sums in matrix products can be closed without truncation. © 1993 IOP Publishing Ltd.
Zelek S. Herman, Robert F. Kirchner, et al.
Inorganic Chemistry
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Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
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Surface Science
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IEDM 1998