J. Tersoff
Applied Surface Science
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.
J. Tersoff
Applied Surface Science
John G. Long, Peter C. Searson, et al.
JES
Mitsuru Ueda, Hideharu Mori, et al.
Journal of Polymer Science Part A: Polymer Chemistry
G. Will, N. Masciocchi, et al.
Zeitschrift fur Kristallographie - New Crystal Structures