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Lower Bounds for the Energy Levels of Anharmonic Oscillators
- Source :
- Journal of Chemical Physics. 43
- Publication Year :
- 1965
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 1965.
-
Abstract
- The lower‐bounds method presented by Löwdin in the preceding paper has been applied to oscillators perturbed by third‐ and fourth‐power terms in the potential‐energy expression. For favorable cases agreement between upper and lower bounds is easily carried to many more figures than are likely to be physically significant. In many cases the lower bounds agreed more closely to the true eigenvalue than did the corresponding upper bounds. For a given basis set, this method gives closer bounds than that of Bazley and Fox, except for energy levels too high to be satisfactorily treated in the given basis. The only disadvantage found was that for close bounds double precision proved necessary, indicating more than ordinary loss of computational accuracy.
- Subjects :
- Atomic And Molecular Physics
Subjects
Details
- Language :
- English
- ISSN :
- 10897690 and 00219606
- Volume :
- 43
- Database :
- NASA Technical Reports
- Journal :
- Journal of Chemical Physics
- Notes :
- NSG-512
- Publication Type :
- Report
- Accession number :
- edsnas.19660036877
- Document Type :
- Report
- Full Text :
- https://doi.org/10.1063/1.1701484