B-spline expansion bases for excited states and discretized scattering states
Journal Article
·
· Journal of Chemical Physics
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. (AIP)
- Research Organization:
- Lawrence Livermore Laboratory, University of California, Livermore, California 94550
- Sponsoring Organization:
- USDOE
- NSA Number:
- NSA-33-010339
- OSTI ID:
- 4146141
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 63; ISSN JCPSA6; ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
*ATOMIC MODELS-- WAVE FUNCTIONS
*ATOMS-- EXCITED STATES
*HYDROGEN-- EXCITED STATES
*MORSE POTENTIAL-- EIGENVALUES
*SCHROEDINGER EQUATION-- NUMERICAL SOLUTION
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
N60200 --Physics (Atomic & Molecular)--Atomic & Molecular Properties
N60500* --Physics (Atomic & Molecular)--Atomic Theory
SCATTERING
SERIES EXPANSION
*ATOMS-- EXCITED STATES
*HYDROGEN-- EXCITED STATES
*MORSE POTENTIAL-- EIGENVALUES
*SCHROEDINGER EQUATION-- NUMERICAL SOLUTION
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
N60200 --Physics (Atomic & Molecular)--Atomic & Molecular Properties
N60500* --Physics (Atomic & Molecular)--Atomic Theory
SCATTERING
SERIES EXPANSION