Published November 1, 1975 | Version v1
Journal article

B-spline expansion bases for excited states and discretized scattering states

Creators

  • 1. Lawrence Livermore Laboratory, University of California, Livermore, California 94550

Description

High-order B-splines provide effective basis functions for constructing solutions to the Schroedinger equation. For high-lying levels of the Morse potential, septic splines yield an accuracy comparable to harmonic oscillators. They can also approximate hydrogenic wavefunctions; typically one-third of the N eigenvalues of an N x N matrix are more accurate than 0.01%. Matrix eigenvectors can also represent scattering states. The approximation is uniformly valid spatially when basis functions terminate sharply

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
63
Journal Issue
9
Series
J. Chem. Phys.
Journal Page Range
3835-3840
ISSN
0021-9606

INIS

Optional Information

Notes
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