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
- DOI
- 10.1063/1.431877;
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
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 7238279
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMIC MODELS; ATOMS; EIGENVALUES; EXCITED STATES; HYDROGEN; MORSE POTENTIAL; NUMERICAL SOLUTION; SCATTERING; SCHROEDINGER EQUATION; SERIES EXPANSION; WAVE FUNCTIONS
- Descriptors DEC
- DIFFERENTIAL EQUATIONS; ELEMENTS; ENERGY LEVELS; EQUATIONS; FUNCTIONS; MATHEMATICAL MODELS; NONMETALS
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent